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# Basis sets obtained from EMSL Basis Set Exchange : https://bse.pnl.gov/bse/portal
# File Name on EMSL BSE Description
3-21++g '3-21++G' VDZD Valence Double Zeta + Diffuse Functions on All Atoms
3-21g '3-21G' VDZ Valence Double Zeta: 2 Funct.'s/Valence AO
3-21gsp '3-21GSP' VDZD Valence Double Zeta
3-21++g_star '3-21++G*' VDZD Valence Double Zeta + Diffuse Functions + Polarization
3-21g_star '3-21G*' VDZP Valence Double Zeta + Polarization on Second Row Atoms
4-22gsp '4-22GSP' VDZD Valence Double Zeta
4-31g '4-31G' VDZ Valence Double Zeta: 2 Funct.'s/Valence AO
5zp '5ZP' All-electron 5 zeta plus polarization functions.
6-311++g_2d_2p '6-311++G(2d,2p)' VTZ2PD Valence Triple Zeta + Double Polar. + Diffuse on All Atoms
6-311g_2df_2pd '6-311G(2df,2pd)' VTZ2P Valence Triple Zeta + Double Polarization
6-311++g_3df_3pd '6-311++G(3df,3pd)' VTZ3PD Valence Triple Zeta + Triple Polar. + Diffuse on All Atoms
6-311g '6-311G' VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO
6-311+g_star '6-311+G*' VTZPD Valence Triple Zeta + Polarization + Diffuse on Heavy Atoms
6-311G_star '6-311G*' VTZP Valence Triple Zeta + Polarization on Nonhydrogen
6-311++g_star_star '6-311++G**' VTZPD Valence Triple Zeta + Polarization + Diffuse on All Atoms
6-311G_star_star '6-311G**' VTZP Valence Triple Zeta + Polarization on All Atoms
6-31g_3df_3pd '6-31G(3df,3pd)' VDZ3P Valence Double Zeta + Triple Polarization on All Atoms
6-31++g '6-31++G' VDZD Valence Double Zeta + Diffuse Functions on All Atoms
6-31g '6-31G' VDZ Valence Double Zeta: 2 Funct.'s/Valence AO
6-31+g '6-31+G' VDZ Valence Double Zeta: 2 Funct.'s/Valence AO + Diffuse Functions on Heavy Atoms
6-31g-Blaudeau '6-31G-Blaudeau' VDZ Valence Double Zeta: 2 Funct.'s/Valence AO
6-31++g_star '6-31++G*' VDZD Valence Double Zeta + Diffuse Functions on All Atoms
6-31+g_star '6-31+G*' VDZPD Valence Double Zeta + Polarization (Li-Ar)
6-31g_star '6-31G*' VDZP Valence Double Zeta + Polarization (Li-Ar)
6-31g_star-Blaudeau '6-31G*-Blaudeau' VDZP Valence Double Zeta + Polarization on All Atoms
6-31++g_star_star '6-31++G**' VDZPD Valence Double Zeta + Diffuse and Polarization Functions
6-31g_star_star '6-31G**' VDZP Valence Double Zeta + Polarization on All Atoms
6zp '6ZP' All-electron 6 zeta plus polarization functions
ano2_ames 'NASA Ames ANO2' VQZ3P Valence Quadruple Zeta + Polarization on All Atoms
ano_ames 'NASA Ames ANO' VQZ3P Valence Quadruple Zeta + Polarization on All Atoms
ano_bauschlicher 'Bauschlicher ANO' VQZ3P Valence Quadruple zeta + Polarization on All Atoms
ano-pvdz_ecp_bfd 'N/A' ANO Double Zeta basis set to be used with BFD pseudo-potentials
ano-pvqz_ecp_bfd 'N/A' ANO Quadruple Zeta basis set to be used with BFD pseudo-potentials
ano-pvtz_ecp_bfd 'N/A' ANO Triple Zeta basis set to be used with BFD pseudo-potentials
ano-rcc 'ANO-RCC' full ANO-RCC basis, reduce to get MB, VDZP, VTZP and VQZP quality
apr-cc-pv_q+d_z 'apr-cc-pV(Q+d)Z' apr-cc-pV(Q+d)Z basis set is a partially augmented cc-pV(Q+d)Z basis set of Dunning and coworkers.
aug-5zp 'A5ZP' All-electron augmented 5ZP.
aug-ano-pvdz_roos 'Roos Augmented Double Zeta ANO' VDZPD Valence Double Zeta + Polarization + Diffuse
aug-ano-pvtz_roos 'Roos Augmented Triple Zeta ANO' VTZ2PD Valence Triple Zeta + Polarization + Diffuse
aug-cc-pcv5z 'aug-cc-pCV5Z' 5Z4PD Quintuple Zeta + Polarization + Diffuse
aug-cc-pcvdz 'aug-cc-pCVDZ' DZ2PD Double Zeta + Polarization + Diffuse on All Atoms
aug-cc-pcvqz 'aug-cc-pCVQZ' QZ3PD Quadruple Zeta + Polarization +Diffuse on All Atoms
aug-cc-pcv_t+d_z 'aug-cc-pCV(T+d)Z' Core-valence basis sets for second-row atoms (Al-Ar)
aug-cc-pcvtz 'aug-cc-pCVTZ' TZ2PD Triple Zeta + Polarization + Diffuse on All Atoms
aug-cc-pv_5+d_z 'aug-cc-pV(5+d)Z' V5Z4P Valence Quintuple Zeta + Polarization on All Atoms
aug-cc-pv5z 'aug-cc-pV5Z' V5Z4PD Valence Quintuple Zeta + Polarization + Diffuse
aug-cc-pv5z_ecp_bfd 'N/A' Augmented Quintuple Zeta basis set to be used with BFD pseudo-potentials
aug-cc-pv5z-pp 'aug-cc-pV5Z-PP' V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
aug-cc-pv_6+d_z 'aug-cc-pV(6+d)Z' V6Z5P Valence Sextuple Zeta + Polarization + Diffuse
aug-cc-pv6z 'aug-cc-pV6Z' V6Z5P Valence Sextuple Zeta + Polarization + Diffuse
aug-cc-pv_d+d_z 'aug-cc-pV(D+d)Z' VDZ2PD Valence Double Zeta + Polarization + Diffuse
aug-cc-pvdz 'aug-cc-pVDZ' VDZ2PD Valence Double Zeta + Polarization + Diffuse
aug-cc-pvdz_ecp_bfd 'N/A' Augmented Double Zeta basis set to be used with BFD pseudo-potentials
aug-cc-pvdz-pp 'aug-cc-pVDZ-PP' VDZPD Valence Double Zeta + Polarization on All Atoms
aug-cc-pv_q+d_z 'aug-cc-pV(Q+d)Z' VQZ3PD Valence Quadruple Zeta + Polarization + Diffuse
aug-cc-pvqz 'aug-cc-pVQZ' VQZ3PD Valence Quadruple Zeta + Polarization + Diffuse
aug-cc-pvqz_ecp_bfd 'N/A' Augmented Quadruple Zeta basis set to be used with BFD pseudo-potentials
aug-cc-pvqz-nr 'aug-cc-pVQZ-NR' VQZPD All-electron non-relativistic Valence Quadruple Zeta + Polarization
aug-cc-pvqz-pp 'aug-cc-pVQZ-PP' VQZPD Valence Quadruple Zeta + Polarization on All Atoms
aug-cc-pvqz_sbd 'SDB-aug-cc-pVQZ' VQZ3P Valence Quadruple Zeta + Polarization on All Atoms
aug-cc-pv_t+d_z 'aug-cc-pV(T+d)Z' VTZ2PD Valence Triple Zeta + Polarization + Diffuse
aug-cc-pvtz 'aug-cc-pVTZ' VTZ2PD Valence Triple Zeta + Polarization + Diffuse
aug-cc-pvtz_ecp_bfd 'N/A' Augmented Triple Zeta basis set to be used with BFD pseudo-potentials
aug-cc-pvtz-nr 'aug-cc-pVTZ-NR' VTZ2P All-electron non-relativistic Valence Triple Zeta + Polarization
aug-cc-pvtz-pp 'aug-cc-pVTZ-PP' VTZPD Valence Triple Zeta + Polarization on All Atoms
aug-cc-pvtz_sbd 'SDB-aug-cc-pVTZ' VTZ2P Valence Triple Zeta + Polarization on All Atoms
aug-cc-pwcv5z 'aug-cc-pwCV5Z' 5Z4P Quintuple Zeta + Polarization on All Atoms
aug-cc-pwcv5z-nr 'aug-cc-pwCV5Z-NR' V5ZPD All-electron non-relativistic Core-Valence Quintuple Zeta + Polarization
aug-cc-pwcvdz 'aug-cc-pwCVDZ' DZP Double Zeta + Polarization + Tight Core
aug-cc-pwcvqz 'aug-cc-pwCVQZ' QZ3PD Quadruple Zeta + Polarization +Diffuse on All Atoms
aug-cc-pwcvqz-nr 'aug-cc-pwCVQZ-NR' VQZPD All-electron non-relativistic Core-Valence Quadruple Zeta + Polarization
aug-cc-pwcvtz 'aug-cc-pwCVTZ' TZ2PD Triple Zeta + Polarization + Diffuse on All Atoms
aug-cc-pwcvtz-nr 'aug-cc-pwCVTZ-NR' VTZ2P All-electron non-relativistic Core-Valence Triple Zeta + Polarization
aug-dzp 'ADZP' All-electron augmented DZP.
aug-pc-0 'aug-pc-0' N/A
aug-pc-1 'aug-pc-1' N/A
aug-pc-2 'aug-pc-2' N/A
aug-pc-3 'aug-pc-3' N/A
aug-pc-4 'aug-pc-4' N/A
aug-pcj-0_2006 'aug-pcJ-0_2006' N/A
aug-pcj-0 'aug-pcJ-0' N/A
aug-pcj-1_2006 'aug-pcJ-1_2006' N/A
aug-pcj-1 'aug-pcJ-1' N/A
aug-pcj-2_2006 'aug-pcJ-2_2006' N/A
aug-pcj-2 'aug-pcJ-2' N/A
aug-pcj-3_2006 'aug-pcJ-3_2006' N/A
aug-pcj-3 'aug-pcJ-3' N/A
aug-pcj-4_2006 'aug-pcJ-4_2006' N/A
aug-pcj-4 'aug-pcJ-4' N/A
aug-pcS-0 'aug-pcS-0' N/A
aug-pcS-1 'aug-pcS-1' N/A
aug-pcs-2 'aug-pcS-2' N/A
aug-pcs-3 'aug-pcS-3' N/A
aug-pcs-4 'aug-pcS-4' N/A
aug-pcseg-0 'aug-pcseg-0' Valence Double Zeta, Diffuse Augmented, DFT Optimized
aug-pcseg-1 'aug-pcseg-1' Polarized Valence Double Zeta, Diffuse Augmented, DFT Optimized
aug-pcseg-2 'aug-pcseg-2' Polarized Valence Triple Zeta, Diffuse Augmented, DFT Optimized
aug-pcseg-3 'aug-pcseg-3' Polarized Valence Quadruple Zeta, Diffuse Augmented, DFT Optimized
aug-pcseg-4 'aug-pcseg-4' Polarized Valence Pentuble Zeta, Diffuse Augmented, DFT Optimized
aug-pcsseg-0 'aug-pcSseg-0' N/A
aug-pcsseg-1 'aug-pcSseg-1' N/A
aug-pcsseg-2 'aug-pcSseg-2' N/A
aug-pcsseg-3 'aug-pcSseg-3' N/A
aug-pcsseg-4 'aug-pcSseg-4' N/A
aug-pv7z 'aug-pV7Z' V7Z6P Valence Septuple Zeta + Polarization on All Atoms
aug-qzp 'AQZP' All-electron augmented QZP.
aug-tzp 'ATZP' All-electron augmented TZP.
cc-pcv5z0 'cc-pCV5Z0' V5Z4P Valence Quintuple Zeta + Tight s and p functions
cc-pcv5z_ames 'NASA Ames cc-pCV5Z' V5Z4P Valence Quintuple Zeta + Polarization on All Atoms
cc-pcv5z 'cc-pCV5Z' N/A
cc-pcv6z 'cc-pCV6Z' correlation consistent core-valence sextuple-zeta basis sets for Al-Ar
cc-pcvdz 'cc-pCVDZ' DZP Double Zeta + Polarization + Tight Core
cc-pcvqz_ames 'NASA Ames cc-pCVQZ' VTZ2P Valence Triple Zeta + Polarization on All Atoms
cc-pcvqz 'cc-pCVQZ' QZ3P Quadruple Zeta + Polarization + Tight Core
cc-pcvtz_ames 'NASA Ames cc-pCVTZ' VTZ2P Valence Triple Zeta + Polarization on All Atoms
cc-pcvtz 'cc-pCVTZ' TZ2P Triple Zeta + Polarization + Tight Core
cc-pv_5+d_z 'cc-pV(5+d)Z' V5Z4P Valence Quintuple Zeta + Polarization on All Atoms
cc-pv5z_ames 'NASA Ames cc-pV5Z' V5Z4P Valence Quintuple Zeta + Polarization on All Atoms
cc-pv5z 'cc-pV5Z' V5Z4P Valence Quintuple Zeta + Polarization on All Atoms
cc-pv5z_ecp_bfd 'N/A' Quintuple Zeta basis set to be used with BFD pseudo-potentials
cc-pv5z-nr 'cc-pV5Z-NR' 5Z4P All-electron non-relativistic Valence Quintuple Zeta + Polarization
cc-pv5z-pp 'cc-pV5Z-PP' cc-pV5Z-PP for Hf - Pt
cc-pv_6+d_z 'cc-pV(6+d)Z' V6Z5P Valence Sextuple Zeta + Polarization on All Atoms
cc-pv6z 'cc-pV6Z' V6Z5P Valence Sextuple Zeta + Polarization on All Atoms
cc-pv8z 'cc-pV8Z' V7Z6P Valence Octuple Zeta + Polarization on All Atoms
cc-pv9z 'cc-pV9Z' V7Z6P Valence Octuple Zeta + Polarization on All Atoms
cc-pv_d+d_z 'cc-pV(D+d)Z' VDZP Valence Double Zeta + Polarization on All Atoms
cc-pvdz 'cc-pVDZ' VDZP Valence Double Zeta + Polarization on All Atoms
cc-pvdz_ecp_bfd 'N/A' Double Zeta basis set to be used with BFD pseudo-potentials
cc-pvdz-pp 'cc-pVDZ-PP' cc-pVDZ-PP for Hf - Pt
cc-pv_q+d_z 'cc-pV(Q+d)Z' VQZ3P Valence Quadruple Zeta + Polarization on All Atoms
cc-pvqz_ames 'NASA Ames cc-pVQZ' VQZ3P Valence Quadruple Zeta + Polarization on All Atoms
cc-pvqz 'cc-pVQZ' VQZ3P Valence Quadruple Zeta + Polarization on All Atoms
cc-pvqz_ecp_bfd 'N/A' Quadruple Zeta basis set to be used with BFD pseudo-potentials
cc-pvqz-nr 'cc-pVQZ-NR' QZ3P All-electron non-relativistic Valence Quadruple Zeta + Polarization
cc-pvqz-pp 'cc-pVQZ-PP' N/A
cc-pvqz_sdb 'SDB-cc-pVQZ' VQZ3P Valence Quadruple Zeta + Polarization on All Atoms
cc-pv_t+d_z+ 'cc-pV(T+d)Z+' cc-pV(T+d)Z+ basis set is the cc-pV(T+d)Z+ basis set of Dunning and coworkers augmented with only s and p diffuse functions of Pople and coworkers on the heavy atoms.
cc-pv_t+d_z 'cc-pV(T+d)Z' VTZ2P Valence Triple Zeta + Polarization on All Atoms
cc-pvtz_ames 'NASA Ames cc-pVTZ' VTZ2P Valence Triple Zeta + Polarization on All Atoms
cc-pvtz+ 'cc-pVTZ+' cc-pVTZ basis set augmented with diffuse functions from 6-31+G basis set.
cc-pvtz 'cc-pVTZ' VTZ2P Valence Triple Zeta + Polarization on All Atoms
cc-pvtz_ecp_bfd 'N/A' Triple Zeta basis set to be used with BFD pseudo-potentials
cc-pvtz-nr 'cc-pVTZ-NR' TZ2P All-electron non-relativistic Valence Triple Zeta + Polarization
cc-pvtz-pp 'cc-pVTZ-PP' cc-pVTZ-PP for Hf - Pt
cc-pvtz_sdb 'SDB-cc-pVTZ' VTZ2P Valence Triple Zeta + Polarization on All Atoms
cc-pwcv5z 'cc-pwCV5Z' 5Z4P Quintuple Zeta + Polarization + Tight Core
cc-pwcv5z-nr 'cc-pwCV5Z-NR' 5Z4P All-electron non-relativistic Core-Valence Quintuple Zeta + Polarization
cc-pwcv5z-pp 'cc-pwCV5Z-PP' cc-pwCV5Z-PP for Hf - Pt
cc-pwcvdz 'cc-pwCVDZ' DZP Double Zeta + Polarization + Tight Core
cc-pwcvdz-pp 'cc-pwCVDZ-PP' N/A
cc-pwcvqz 'cc-pwCVQZ' QZ3P Quadruple Zeta + Polarization + Tight Core
cc-pwcvqz-nr 'cc-pwCVQZ-NR' QZ3P All-electron non-relativistic Core-Valence Quadruple Zeta + Polarization
cc-pwcvqz-pp 'cc-pwCVQZ-PP' N/A
cc-pwcvtz 'cc-pwCVTZ' TZ2P Triple Zeta + Polarization + Tight Core
cc-pwcvtz-nr 'cc-pwCVTZ-NR' TZ2P All-electron non-relativistic Core-Valence Triple Zeta + Polarization
chipman-dzp 'Chipman DZP' DZP Double Zeta + Polarization
chipman-dzp+diffuse 'Chipman DZP + Diffuse' DZPD Double Zeta + Polarization + Diffuse
d-aug-cc-pv5z 'd-aug-cc-pV5Z' V5Z4PD Valence Quintuple Zeta + Polarization + Diffuse
d-aug-cc-pv6z 'd-aug-cc-pV6Z' V6Z5P Valence Sextuple Zeta + Polarization + Diffuse
d-aug-cc-pvdz 'd-aug-cc-pVDZ' VDZ2PD Valence Double Zeta + Polarization + Diffuse
d-aug-cc-pvqz 'd-aug-cc-pVQZ' VQZ3PD Valence Quadruple Zeta + Polarization + Diffuse
d-aug-cc-pvtz 'd-aug-cc-pVTZ' VTZ2PD Valence Triple Zeta + Polarization + Diffuse
def2-qzvpd 'Def2-QZVPD' def2-QZVPD Quadruple-Zeta-Valence basis set + Polarization + Diffuse basis functions
def2-qzvp 'Def2-QZVP' N/A
def2-qzvppd 'Def2-QZVPPD' def2-QZVPPD Quadruple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions
def2-qzvpp 'Def2-QZVPP' N/A
def2-svpd 'Def2-SVPD' def2-SVPD Split-Valence basis set + Polarization + Diffuse basis functions
def2-sv_p 'Def2-SV(P)' N/A
def2-svp 'Def2-SVP' N/A
def2-tzvpd 'Def2-TZVPD' def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
def2-tzvp 'Def2-TZVP' N/A
def2-tzvppd 'Def2-TZVPPD' def2-TZVPPD Triple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions
def2-tzvpp 'Def2-TZVPP' N/A
dunning_tz 'TZ (Dunning)' VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO
dz_dunning 'DZ (Dunning)' DZ Double Zeta: 2 Functions/AO
dz_dunning-hay 'DZ + Double Rydberg (Dunning-Hay)' DZ2R Double Zeta + Double Rydberg Functions
dzpd_dunning 'DZP + Diffuse (Dunning)' DZPD Double Zeta + Polarization + Diffuse
dzp_dunning 'DZP (Dunning)' DZP Double Zeta + Polarization on All Atoms
dzp 'DZP' All-electron double zeta plus polarization functions.
dzpr_dunning 'DZP + Rydberg (Dunning)' DZP1R Double Zeta + Polarization on All Atoms
dzq 'DZQ' N/A
dzr_dunning 'DZ + Rydberg (Dunning)' DZ1R Double Zeta: 2 Functions/AO
dzvp2 'DZVP2 (DFT Orbital)' VDZP Valence Double Zeta + Polarization designed for DFT
dzvp 'DZVP (DFT Orbital)' VDZP Valence Double Zeta + Polarization designed for DFT
ecp10mdf 'ECP10MDF' N/A
ecp60mdf 'ECP60MDF' N/A
iglo-ii 'IGLO-II' VDZP Valence Double Zeta + Polarization on All Atoms
iglo-iii 'IGLO-III' VTZP Valence Triple Zeta + Polarization on All Atoms
jul-cc-pv_d+d_z 'jul-cc-pV(D+d)Z' jul-cc-pV(D+d)Z basis set is a partially augmented cc-pV(D+d)Z basis set of Dunning and coworkers
jul-cc-pv_q+d_z 'jul-cc-pV(Q+d)Z' jul-cc-pV(Q+d)Z basis set is a partially augmented cc-pV(Q+d)Z basis set of Dunning and coworkers
jul-cc-pv_t+d_z 'jul-cc-pV(T+d)Z' jul-cc-pV(T+d)Z basis set is a partially augmented cc-pV(T+d)Z basis set of Dunning and coworkers
jun-cc-pv_d+d_z 'jun-cc-pV(D+d)Z' jun-cc-pV(D+d)Z basis set is a partially augmented cc-pV(D+d)Z basis set of Dunning and coworkers
jun-cc-pv_q+d_z 'jun-cc-pV(Q+d)Z' jun-cc-pV(Q+d)Z basis set is a partially augmented cc-pV(Q+d)Z basis set of Dunning and coworkers.
jun-cc-pv_t+d_z 'jun-cc-pV(T+d)Z' jun-cc-pV(T+d)Z basis set is a partially augmented cc-pV(T+d)Z basis set of Dunning and coworkers
lanl08d 'LANL08d' Uncontracted basis + Polarization + Diffuse ECP
lanl08f 'LANL08(f)' uncontracted basis set + f polarization
lanl08 'LANL08' Uncontracted basis set
lanl08+ 'LANL08+' uncontracted basis set + diffuse d function
lanl2dzdp_ecp 'LANL2DZdp ECP' DZP Double Zeta + Polarization + Diffuse ECP
lanl2dz_ecp 'LANL2DZ ECP' DZ Double Zeta Basis Set designed for an ECP
lanl2dz_mod 'modified LANL2DZ' transition-metal LANL2DZ basis sets including optimized outer p functions
lanl2tzf 'LANL2TZ(f)' TZ triple zeta basis set designed for an ECP + f polarization
lanl2tz 'LANL2TZ' N/A
lanl2tz+ 'LANL2TZ+' TZ triple zeta basis set designed for an ECP + diffuse d function
m6-31g 'm6-31G' Improved 6-31G basis set for first-row transition metals
maug-cc-pv_d+d_z 'maug-cc-pV(D+d)Z' maug-cc-pV(D+d)Z basis set is the cc-pV(D+d)Z basis set of Dunning and coworkers augmented with only s and p diffuse functions on the heavy atoms. This basis set is called minimally augmented cc-pV(D+d)Z, which we abbreviate maug-cc-pV(D+d)Z.
maug-cc-pvdz 'maug-cc-pVDZ' maug-cc-pVDZ basis set is the cc-pVDZ basis set of Dunning and coworkers augmented with only s and p diffuse functions on the heavy atoms. This basis set is called minimally augmented cc-pVDZ, which we abbreviate maug-cc-pVDZ.
maug-cc-pv_q+d_z 'maug-cc-pV(Q+d)Z' maug-cc-pV(Q+d)Z basis set is the cc-pV(Q+d)Z basis set of Dunning and coworkers augmented with only s and p diffuse functions on the heavy atoms. This basis set is called minimally augmented cc-pV(Q+d)Z, which we abbreviate maug-cc-pV(Q+d)Z.
maug-cc-pvqz 'maug-cc-pVQZ' maug-cc-pVQZ basis set is the cc-pVQZ basis set of Dunning and coworkers augmented with only s and p diffuse functions on the heavy atoms. This basis set is called minimally augmented cc-pVQZ, which we abbreviate maug-cc-pVQZ
maug-cc-pv_t+d_z 'maug-cc-pV(T+d)Z' Minimally augmented cc-pV(T+d)Z
maug-cc-pvtz 'maug-cc-pVTZ' maug-cc-pVTZ basis set is the cc-pVTZ basis set of Dunning and coworkers augmented with only s and p diffuse functions on the heavy atoms. This basis set is called minimally augmented cc-pVTZ, which we abbreviate maug-cc-pVTZ.
may-cc-pv_q+d_z 'may-cc-pV(Q+d)Z' may-cc-pV(Q+d)Z basis set is a partially augmented cc-pV(Q+d)Z basis set of Dunning and coworkers
may-cc-pv_t+d_z 'may-cc-pV(T+d)Z' may-cc-pV(T+d)Z basis set is a partially augmented cc-pV(T+d)Z basis set of Dunning and coworkers
mb_ecp_hay-wadt 'Hay-Wadt MB (n+1) ECP' MB Minimal Basis Set designed for an ECP
mg3s 'MG3S' MG3S is a triple-zeta polarized basis set with diffuse functions on all heavy atoms. It is a modification of Pople's 6-311++G** basis set.
midi_bang 'MIDI!' VDZP Valence Double Zeta + Polarization on some atoms
midi_huzinaga 'MIDI (Huzinaga)' VDZ Valence Double Zeta: 2 Funct.'s/Valence AO
mini_huzinaga 'MINI (Huzinaga)' MB Minimal Basis: 1 Function/AO
mini 'MINI (Scaled)' MB Minimal Basis: 1 Function/AO
pv6z 'pV6Z' V6Z5P Valence Sextuple Zeta + Polarization on All Atoms
pv7z 'pV7Z' V7Z6P Valence Septuple Zeta + Polarization on All Atoms
pvdz_ahlrichs 'Ahlrichs pVDZ' VDZP Valence Double Zeta + Polarization on All Atoms
pvtz_gamess 'GAMESS PVTZ' VTZP Valence Triple Zeta + Polarization on All Atoms
pvtz_sadlej 'Sadlej pVTZ' VTZ2P Valence Triple zeta + Polarization on All Atoms
qzp 'QZP' All-electron quadruple zeta plus polarization functions.
rlc_ecp_stuttgart 'Stuttgart RLC ECP' DZ Double Zeta Basis Set designed for an ECP
rsc_ano_ecp_stuttgart 'Stuttgart RSC ANO/ECP' QZ Quadruple Zeta Basis Set designed for an ECP
rsc_ecp_stuttgart 'Stuttgart RSC 1997 ECP' DZ Double Zeta Basis Set designed for an ECP
sbkjc_p_2d 'SBKJC Polarized (p,2d) - LFK' N/A
sto-2g 'STO-2G' MB Minimal Basis: 1 Function/AO
sto-3g_star 'STO-3G*' MBP Minimal Basis + Polarization on second row
sto-3g 'STO-3G' MB Minimal Basis: 1 Function/AO
sto-6g_star 'STO-6G' MB Minimal Basis: 1 Function/AO
sv_binning-curtiss 'Binning/Curtiss SV' VDZ Valence Double Zeta: 2 Funct.'s/Valence AO
sv_dunning-hay 'SV (Dunning-Hay)' VDZ Valence Double Zeta: 2 Funct.'s/Valence AO
svp_binning-curtiss 'Binning/Curtiss SVP' VDZP Valence Double Zeta + Polarization
svpd_dunning-hay 'SVP + Diffuse (Dunning-Hay)' VDZPD Valence Double Zeta + Polarization + Diffuse
svpdr 'SVP + Diffuse + Rydberg' VDZPD1R Valence Double Zeta + Polar. + Diffuse + Rydberg
svp_dunning-hay 'SVP (Dunning-Hay)' VDZP Valence Double Zeta + Polarization on All Atoms
svpr_dunning-hay 'SVP + Rydberg (Dunning-Hay)' VDZP1R Valence Double Zeta + Polarization + Rydberg
svr_dunning-hay 'SV + Rydberg (Dunning-Hay)' VDZ1R Valence Double Zeta + Diffuse Rydberg Functions
svrr_dunning-hay 'SV + Double Rydberg (Dunning-Hay)' Valence Double Zeta + Double Rydberg Functions
tzp 'TZP' All-electron triple zeta plus polarization functions.
tzv_ahlrichs 'Ahlrichs TZV' VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO
tzvp 'TZVP (DFT Orbital)' VTZP Valence Triple Zeta + Polarization designed for DFT
ugbs 'UGBS' UGBS basis by de Castro and Jorge
uncontracted_1_partridge 'Partridge Uncontracted 1' 1D UNCONTR Uncontracted (s,p) Sets (Smallest)
uncontracted_2_partridge 'Partridge Uncontracted 2' 1D UNCONTR Uncontracted (s,p) Sets (Intermediate)
uncontracted_3_partridge 'Partridge Uncontracted 3' 1D UNCONTR Uncontracted (s,p) Sets (Large)
uncontracted_4_partridge 'Partridge Uncontracted 4' 1D UNCONTR Uncontracted (s,p) Sets (Large)
vdz_ahlrichs 'Ahlrichs VDZ' VDZ Valence Double Zeta: 2 Funct.'s/Valence AO
vdz_ecp_hay-wadt 'Hay-Wadt VDZ (n+1) ECP' VDZ Valence Double Zeta designed for an ECP
vdz_sbkjc_ecp 'SBKJC VDZ ECP' VDZ Valence Double Zeta designed for an ECP
vtz_ahlrichs 'Ahlrichs VTZ' VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO
vtz_binning-curtiss 'Binning/Curtiss VTZ' VTZ Valence Triple Zeta: 3 Functions/valence AO
vtz_gamess 'GAMESS VTZ' VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO
vtz_mclean-chandler 'McLean/Chandler VTZ' VTZ Valence Triple Zeta: 3 Functions/Valence AO
vtzp_binning-curtiss 'Binning/Curtiss VTZP' VTZP Valence Triple Zeta + Polarization
wachters+f 'Wachters+f' VDZP Valence Double Zeta + Polarization on All Atoms
aug-cc-pvdz_ecp_ncsu 'aug-cc-pvdz ecp ncsu' augmented cc-pvDz basis set designed for the NCSU ECP found in https://pseudopotentiallibrary.org/
aug-cc-pvtz_ecp_ncsu 'aug-cc-pvtz ecp ncsu' augmented cc-pvTz basis set designed for the NCSU ECP found in https://pseudopotentiallibrary.org/
aug-cc-pvqz_ecp_ncsu 'aug-cc-pvqz ecp ncsu' augmented cc-pvQz basis set designed for the NCSU ECP found in https://pseudopotentiallibrary.org/
aug-cc-pv5z_ecp_ncsu 'aug-cc-pv5z ecp ncsu' augmented cc-pv5z basis set designed for the NCSU ECP found in https://pseudopotentiallibrary.org/
cc-pvdz_ecp_ncsu 'cc-pvdz ecp ncsu' cc-pvDz basis set designed for the NCSU ECP found in https://pseudopotentiallibrary.org/
cc-pvtz_ecp_ncsu 'cc-pvtz ecp ncsu' cc-pvTz basis set designed for the NCSU ECP found in https://pseudopotentiallibrary.org/
cc-pvqz_ecp_ncsu 'cc-pvqz ecp ncsu' cc-pvQz basis set designed for the NCSU ECP found in https://pseudopotentiallibrary.org/
cc-pv5z_ecp_ncsu 'cc-pv5z ecp ncsu' cc-pv5z basis set designed for the NCSU ECP found in https://pseudopotentiallibrary.org/
# ; vim::nowrap

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HYDROGEN
S 2
1 5.4471780 0.1562850
2 0.8245470 0.9046910
S 1
1 0.1831920 1.0000000
S 1
1 0.0360000 1.0000000
LITHIUM
S 3
1 36.8382000 0.0696686
2 5.4817200 0.3813460
3 1.1132700 0.6817020
S 2
1 0.5402050 -0.2631270
2 0.1022550 1.1433900
P 2
1 0.5402050 0.1615460
2 0.1022550 0.9156630
S 1
1 0.0285650 1.0000000
P 1
1 0.0285650 1.0000000
S 1
1 0.0074000 1.0000000
P 1
1 0.0074000 1.0000000
BERYLLIUM
S 3
1 71.8876000 0.0644263
2 10.7289000 0.3660960
3 2.2220500 0.6959340
S 2
1 1.2954800 -0.4210640
2 0.2688810 1.2240700
P 2
1 1.2954800 0.2051320
2 0.2688810 0.8825280
S 1
1 0.0773500 1.0000000
P 1
1 0.0773500 1.0000000
S 1
1 0.0207000 1.0000000
P 1
1 0.0207000 1.0000000
BORON
S 3
1 116.4340000 0.0629605
2 17.4314000 0.3633040
3 3.6801600 0.6972550
S 2
1 2.2818700 -0.3686620
2 0.4652480 1.1994400
P 2
1 2.2818700 0.2311520
2 0.4652480 0.8667640
S 1
1 0.1243280 1.0000000
P 1
1 0.1243280 1.0000000
S 1
1 0.0315000 1.0000000
P 1
1 0.0315000 1.0000000
CARBON
S 3
1 172.2560000 0.0617669
2 25.9109000 0.3587940
3 5.5333500 0.7007130
S 2
1 3.6649800 -0.3958970
2 0.7705450 1.2158400
P 2
1 3.6649800 0.2364600
2 0.7705450 0.8606190
S 1
1 0.1958570 1.0000000
P 1
1 0.1958570 1.0000000
S 1
1 0.0438000 1.0000000
P 1
1 0.0438000 1.0000000
NITROGEN
S 3
1 242.7660000 0.0598657
2 36.4851000 0.3529550
3 7.8144900 0.7065130
S 2
1 5.4252200 -0.4133010
2 1.1491500 1.2244200
P 2
1 5.4252200 0.2379720
2 1.1491500 0.8589530
S 1
1 0.2832050 1.0000000
P 1
1 0.2832050 1.0000000
S 1
1 0.0639000 1.0000000
P 1
1 0.0639000 1.0000000
OXYGEN
S 3
1 322.0370000 0.0592394
2 48.4308000 0.3515000
3 10.4206000 0.7076580
S 2
1 7.4029400 -0.4044530
2 1.5762000 1.2215600
P 2
1 7.4029400 0.2445860
2 1.5762000 0.8539550
S 1
1 0.3736840 1.0000000
P 1
1 0.3736840 1.0000000
S 1
1 0.0845000 1.0000000
P 1
1 0.0845000 1.0000000
FLUORINE
S 3
1 413.8010000 0.0585483
2 62.2446000 0.3493080
3 13.4340000 0.7096320
S 2
1 9.7775900 -0.4073270
2 2.0861700 1.2231400
P 2
1 9.7775900 0.2466800
2 2.0861700 0.8523210
S 1
1 0.4823830 1.0000000
P 1
1 0.4823830 1.0000000
S 1
1 0.1076000 1.0000000
P 1
1 0.1076000 1.0000000
NEON
S 3
1 515.7240000 0.0581430
2 77.6538000 0.3479510
3 16.8136000 0.7107140
S 2
1 12.4830000 -0.4099220
2 2.6645100 1.2243100
P 2
1 12.4830000 0.2474600
2 2.6645100 0.8517430
S 1
1 0.6062500 1.0000000
P 1
1 0.6062500 1.0000000
S 1
1 0.1300000 1.0000000
P 1
1 0.1300000 1.0000000
SODIUM
S 3
1 547.6130000 0.0674911
2 82.0678000 0.3935050
3 17.6917000 0.6656050
S 3
1 17.5407000 -0.1119370
2 3.7939800 0.2546540
3 0.9064410 0.8444170
P 3
1 17.5407000 0.1282330
2 3.7939800 0.4715330
3 0.9064410 0.6042730
S 2
1 0.5018240 -0.2196600
2 0.0609458 1.0891200
P 2
1 0.5018240 0.0090665
2 0.0609458 0.9972020
S 1
1 0.0244349 1.0000000
P 1
1 0.0244349 1.0000000
S 1
1 0.0076000 1.0000000
P 1
1 0.0076000 1.0000000
MAGNESIUM
S 3
1 652.8410000 0.0675982
2 98.3805000 0.3917780
3 21.2996000 0.6666610
S 3
1 23.3727000 -0.1102460
2 5.1995300 0.1841190
3 1.3150800 0.8963990
P 3
1 23.3727000 0.1210140
2 5.1995300 0.4628100
3 1.3150800 0.6069070
S 2
1 0.6113490 -0.3611010
2 0.1418410 1.2150500
P 2
1 0.6113490 0.0242633
2 0.1418410 0.9866730
S 1
1 0.0464011 1.0000000
P 1
1 0.0464011 1.0000000
S 1
1 0.0146000 1.0000000
P 1
1 0.0146000 1.0000000
ALUMINUM
S 3
1 775.7370000 0.0668347
2 116.9520000 0.3890610
3 25.3326000 0.6694680
S 3
1 29.4796000 -0.1079020
2 6.6331400 0.1462450
3 1.7267500 0.9237300
P 3
1 29.4796000 0.1175740
2 6.6331400 0.4611740
3 1.7267500 0.6055350
S 2
1 0.9461600 -0.3203270
2 0.2025060 1.1841200
P 2
1 0.9461600 0.0519383
2 0.2025060 0.9726600
S 1
1 0.0639088 1.0000000
P 1
1 0.0639088 1.0000000
S 1
1 0.0318000 1.0000000
P 1
1 0.0318000 1.0000000
SILICON
S 3
1 910.6550000 0.0660823
2 137.3360000 0.3862290
3 29.7601000 0.6723800
S 3
1 36.6716000 -0.1045110
2 8.3172900 0.1074100
3 2.2164500 0.9514460
P 3
1 36.6716000 0.1133550
2 8.3172900 0.4575780
3 2.2164500 0.6074270
S 2
1 1.0791300 -0.3761080
2 0.3024220 1.2516500
P 2
1 1.0791300 0.0671030
2 0.3024220 0.9568830
S 1
1 0.0933392 1.0000000
P 1
1 0.0933392 1.0000000
S 1
1 0.0331000 1.0000000
P 1
1 0.0331000 1.0000000
PHOSPHORUS
S 3
1 1054.9000000 0.0655410
2 159.1950000 0.3840360
3 34.5304000 0.6745410
S 3
1 44.2866000 -0.1021300
2 10.1019000 0.0815920
3 2.7399700 0.9697880
P 3
1 44.2866000 0.1108510
2 10.1019000 0.4564950
3 2.7399700 0.6069360
S 2
1 1.2186500 -0.3714950
2 0.3955460 1.2709900
P 2
1 1.2186500 0.0915820
2 0.3955460 0.9349240
S 1
1 0.1228110 1.0000000
P 1
1 0.1228110 1.0000000
S 1
1 0.0348000 1.0000000
P 1
1 0.0348000 1.0000000
SULFUR
S 3
1 1210.6200000 0.0650070
2 182.7470000 0.3820400
3 39.6673000 0.6765450
S 3
1 52.2236000 -0.1003100
2 11.9629000 0.0650880
3 3.2891100 0.9814550
P 3
1 52.2236000 0.1096460
2 11.9629000 0.4576490
3 3.2891100 0.6042610
S 2
1 1.2238400 -0.2860890
2 0.4573030 1.2280600
P 2
1 1.2238400 0.1647770
2 0.4573030 0.8708550
S 1
1 0.1422690 1.0000000
P 1
1 0.1422690 1.0000000
S 1
1 0.0405000 1.0000000
P 1
1 0.0405000 1.0000000
CHLORINE
S 3
1 1376.4000000 0.0645827
2 207.8570000 0.3803630
3 45.1554000 0.6781900
S 3
1 60.8014000 -0.0987639
2 13.9765000 0.0511338
3 3.8871000 0.9913370
P 3
1 60.8014000 0.1085980
2 13.9765000 0.4586820
3 3.8871000 0.6019620
S 2
1 1.3529900 -0.2224010
2 0.5269550 1.1825200
P 2
1 1.3529900 0.2192160
2 0.5269550 0.8223210
S 1
1 0.1667140 1.0000000
P 1
1 0.1667140 1.0000000
S 1
1 0.0483000 1.0000000
P 1
1 0.0483000 1.0000000
ARGON
S 3
1 1553.7100000 0.0641707
2 234.6780000 0.3787970
3 51.0121000 0.6797520
S 3
1 70.0453000 -0.0974661
2 16.1473000 0.0390569
3 4.5349200 0.9999160
P 3
1 70.0453000 0.1076190
2 16.1473000 0.4595760
3 4.5349200 0.6000410
S 2
1 1.5420900 -0.1768660
2 0.6072670 1.1469000
P 2
1 1.5420900 0.2556870
2 0.6072670 0.7898420
S 1
1 0.1953730 1.0000000
P 1
1 0.1953730 1.0000000
S 1
1 0.0600000 1.0000000
P 1
1 0.0600000 1.0000000
POTASSIUM
S 3
1 1721.1755000 0.0648747
2 260.0163300 0.3808593
3 56.6245540 0.6773681
S 3
1 71.5572000 -0.1093429
2 15.4389400 0.1130640
3 4.4745510 0.9462575
P 3
1 71.5572000 0.1339654
2 15.4389400 0.5302673
3 4.4745510 0.5117992
S 3
1 4.1212750 -0.2699730
2 1.1886210 0.3646323
3 0.3756740 0.8107533
P 3
1 4.1212750 0.0199492
2 1.1886210 0.4340213
3 0.3756740 0.6453226
S 2
1 0.2445770 -0.2688250
2 0.0389720 1.1289830
P 2
1 0.2445770 0.0003081
2 0.0389720 0.9998787
S 1
1 0.0160630 1.0000000
P 1
1 0.0160630 1.0000000
S 1
1 0.0047000 1.0000000
P 1
1 0.0047000 1.0000000
CALCIUM
S 3
1 1915.4348000 0.0646240
2 289.5332400 0.3798380
3 63.1063520 0.6783290
S 3
1 80.3974400 -0.1093030
2 17.3307500 0.1089000
3 5.0836240 0.9492770
P 3
1 80.3974400 0.1354330
2 17.3307500 0.5372220
3 5.0836240 0.5018040
S 3
1 4.7822290 -0.2816070
2 1.4625580 0.3410510
3 0.4792230 0.8381040
P 3
1 4.7822290 0.0190090
2 1.4625580 0.4360380
3 0.4792230 0.6386710
S 2
1 0.4396820 -0.2697050
2 0.0591300 1.1132930
P 2
1 0.4396820 0.0003080
2 0.0591300 0.9998960
S 1
1 0.0238970 1.0000000
P 1
1 0.0238970 1.0000000
S 1
1 0.0071000 1.0000000
P 1
1 0.0071000 1.0000000

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SODIUM
S 3
1 547.6130000 0.0674911
2 82.0678000 0.3935050
3 17.6917000 0.6656050
S 3
1 17.5407000 -0.1119370
2 3.7939800 0.2546540
3 0.9064410 0.8444170
P 3
1 17.5407000 0.1282330
2 3.7939800 0.4715330
3 0.9064410 0.6042730
S 2
1 0.5018240 -0.2196600
2 0.0609458 1.0891200
P 2
1 0.5018240 0.0090665
2 0.0609458 0.9972020
S 1
1 0.0244349 1.0000000
P 1
1 0.0244349 1.0000000
S 1
1 0.0076000 1.0000000
P 1
1 0.0076000 1.0000000
D 1
1 0.1750000 1.0000000
MAGNESIUM
S 3
1 652.8410000 0.0675982
2 98.3805000 0.3917780
3 21.2996000 0.6666610
S 3
1 23.3727000 -0.1102460
2 5.1995300 0.1841190
3 1.3150800 0.8963990
P 3
1 23.3727000 0.1210140
2 5.1995300 0.4628100
3 1.3150800 0.6069070
S 2
1 0.6113490 -0.3611010
2 0.1418410 1.2150500
P 2
1 0.6113490 0.0242633
2 0.1418410 0.9866730
S 1
1 0.0464011 1.0000000
P 1
1 0.0464011 1.0000000
S 1
1 0.0146000 1.0000000
P 1
1 0.0146000 1.0000000
D 1
1 0.1750000 1.0000000
ALUMINUM
S 3
1 775.7370000 0.0668347
2 116.9520000 0.3890610
3 25.3326000 0.6694680
S 3
1 29.4796000 -0.1079020
2 6.6331400 0.1462450
3 1.7267500 0.9237300
P 3
1 29.4796000 0.1175740
2 6.6331400 0.4611740
3 1.7267500 0.6055350
S 2
1 0.9461600 -0.3203270
2 0.2025060 1.1841200
P 2
1 0.9461600 0.0519383
2 0.2025060 0.9726600
S 1
1 0.0639088 1.0000000
P 1
1 0.0639088 1.0000000
S 1
1 0.0318000 1.0000000
P 1
1 0.0318000 1.0000000
D 1
1 0.3250000 1.0000000
SILICON
S 3
1 910.6550000 0.0660823
2 137.3360000 0.3862290
3 29.7601000 0.6723800
S 3
1 36.6716000 -0.1045110
2 8.3172900 0.1074100
3 2.2164500 0.9514460
P 3
1 36.6716000 0.1133550
2 8.3172900 0.4575780
3 2.2164500 0.6074270
S 2
1 1.0791300 -0.3761080
2 0.3024220 1.2516500
P 2
1 1.0791300 0.0671030
2 0.3024220 0.9568830
S 1
1 0.0933392 1.0000000
P 1
1 0.0933392 1.0000000
S 1
1 0.0331000 1.0000000
P 1
1 0.0331000 1.0000000
D 1
1 0.4500000 1.0000000
PHOSPHORUS
S 3
1 1054.9000000 0.0655410
2 159.1950000 0.3840360
3 34.5304000 0.6745410
S 3
1 44.2866000 -0.1021300
2 10.1019000 0.0815920
3 2.7399700 0.9697880
P 3
1 44.2866000 0.1108510
2 10.1019000 0.4564950
3 2.7399700 0.6069360
S 2
1 1.2186500 -0.3714950
2 0.3955460 1.2709900
P 2
1 1.2186500 0.0915820
2 0.3955460 0.9349240
S 1
1 0.1228110 1.0000000
P 1
1 0.1228110 1.0000000
S 1
1 0.0348000 1.0000000
P 1
1 0.0348000 1.0000000
D 1
1 0.5500000 1.0000000
SULFUR
S 3
1 1210.6200000 0.0650070
2 182.7470000 0.3820400
3 39.6673000 0.6765450
S 3
1 52.2236000 -0.1003100
2 11.9629000 0.0650880
3 3.2891100 0.9814550
P 3
1 52.2236000 0.1096460
2 11.9629000 0.4576490
3 3.2891100 0.6042610
S 2
1 1.2238400 -0.2860890
2 0.4573030 1.2280600
P 2
1 1.2238400 0.1647770
2 0.4573030 0.8708550
S 1
1 0.1422690 1.0000000
P 1
1 0.1422690 1.0000000
S 1
1 0.0405000 1.0000000
P 1
1 0.0405000 1.0000000
D 1
1 0.6500000 1.0000000
CHLORINE
S 3
1 1376.4000000 0.0645827
2 207.8570000 0.3803630
3 45.1554000 0.6781900
S 3
1 60.8014000 -0.0987639
2 13.9765000 0.0511338
3 3.8871000 0.9913370
P 3
1 60.8014000 0.1085980
2 13.9765000 0.4586820
3 3.8871000 0.6019620
S 2
1 1.3529900 -0.2224010
2 0.5269550 1.1825200
P 2
1 1.3529900 0.2192160
2 0.5269550 0.8223210
S 1
1 0.1667140 1.0000000
P 1
1 0.1667140 1.0000000
S 1
1 0.0483000 1.0000000
P 1
1 0.0483000 1.0000000
D 1
1 0.7500000 1.0000000
ARGON
S 3
1 1553.7100000 0.0641707
2 234.6780000 0.3787970
3 51.0121000 0.6797520
S 3
1 70.0453000 -0.0974661
2 16.1473000 0.0390569
3 4.5349200 0.9999160
P 3
1 70.0453000 0.1076190
2 16.1473000 0.4595760
3 4.5349200 0.6000410
S 2
1 1.5420900 -0.1768660
2 0.6072670 1.1469000
P 2
1 1.5420900 0.2556870
2 0.6072670 0.7898420
S 1
1 0.1953730 1.0000000
P 1
1 0.1953730 1.0000000
S 1
1 0.0600000 1.0000000
P 1
1 0.0600000 1.0000000
D 1
1 0.8500000 1.0000000

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209
basis/3-21g_star Normal file
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@ -0,0 +1,209 @@
SODIUM
S 3
1 547.6130000 0.0674911
2 82.0678000 0.3935050
3 17.6917000 0.6656050
S 3
1 17.5407000 -0.1119370
2 3.7939800 0.2546540
3 0.9064410 0.8444170
P 3
1 17.5407000 0.1282330
2 3.7939800 0.4715330
3 0.9064410 0.6042730
S 2
1 0.5018240 -0.2196600
2 0.0609458 1.0891200
P 2
1 0.5018240 0.0090665
2 0.0609458 0.9972020
S 1
1 0.0244349 1.0000000
P 1
1 0.0244349 1.0000000
D 1
1 0.1750000 1.0000000
MAGNESIUM
S 3
1 652.8410000 0.0675982
2 98.3805000 0.3917780
3 21.2996000 0.6666610
S 3
1 23.3727000 -0.1102460
2 5.1995300 0.1841190
3 1.3150800 0.8963990
P 3
1 23.3727000 0.1210140
2 5.1995300 0.4628100
3 1.3150800 0.6069070
S 2
1 0.6113490 -0.3611010
2 0.1418410 1.2150500
P 2
1 0.6113490 0.0242633
2 0.1418410 0.9866730
S 1
1 0.0464011 1.0000000
P 1
1 0.0464011 1.0000000
D 1
1 0.1750000 1.0000000
ALUMINUM
S 3
1 775.7370000 0.0668347
2 116.9520000 0.3890610
3 25.3326000 0.6694680
S 3
1 29.4796000 -0.1079020
2 6.6331400 0.1462450
3 1.7267500 0.9237300
P 3
1 29.4796000 0.1175740
2 6.6331400 0.4611740
3 1.7267500 0.6055350
S 2
1 0.9461600 -0.3203270
2 0.2025060 1.1841200
P 2
1 0.9461600 0.0519383
2 0.2025060 0.9726600
S 1
1 0.0639088 1.0000000
P 1
1 0.0639088 1.0000000
D 1
1 0.3250000 1.0000000
SILICON
S 3
1 910.6550000 0.0660823
2 137.3360000 0.3862290
3 29.7601000 0.6723800
S 3
1 36.6716000 -0.1045110
2 8.3172900 0.1074100
3 2.2164500 0.9514460
P 3
1 36.6716000 0.1133550
2 8.3172900 0.4575780
3 2.2164500 0.6074270
S 2
1 1.0791300 -0.3761080
2 0.3024220 1.2516500
P 2
1 1.0791300 0.0671030
2 0.3024220 0.9568830
S 1
1 0.0933392 1.0000000
P 1
1 0.0933392 1.0000000
D 1
1 0.4500000 1.0000000
PHOSPHORUS
S 3
1 1054.9000000 0.0655410
2 159.1950000 0.3840360
3 34.5304000 0.6745410
S 3
1 44.2866000 -0.1021300
2 10.1019000 0.0815920
3 2.7399700 0.9697880
P 3
1 44.2866000 0.1108510
2 10.1019000 0.4564950
3 2.7399700 0.6069360
S 2
1 1.2186500 -0.3714950
2 0.3955460 1.2709900
P 2
1 1.2186500 0.0915820
2 0.3955460 0.9349240
S 1
1 0.1228110 1.0000000
P 1
1 0.1228110 1.0000000
D 1
1 0.5500000 1.0000000
SULFUR
S 3
1 1210.6200000 0.0650070
2 182.7470000 0.3820400
3 39.6673000 0.6765450
S 3
1 52.2236000 -0.1003100
2 11.9629000 0.0650880
3 3.2891100 0.9814550
P 3
1 52.2236000 0.1096460
2 11.9629000 0.4576490
3 3.2891100 0.6042610
S 2
1 1.2238400 -0.2860890
2 0.4573030 1.2280600
P 2
1 1.2238400 0.1647770
2 0.4573030 0.8708550
S 1
1 0.1422690 1.0000000
P 1
1 0.1422690 1.0000000
D 1
1 0.6500000 1.0000000
CHLORINE
S 3
1 1376.4000000 0.0645827
2 207.8570000 0.3803630
3 45.1554000 0.6781900
S 3
1 60.8014000 -0.0987639
2 13.9765000 0.0511338
3 3.8871000 0.9913370
P 3
1 60.8014000 0.1085980
2 13.9765000 0.4586820
3 3.8871000 0.6019620
S 2
1 1.3529900 -0.2224010
2 0.5269550 1.1825200
P 2
1 1.3529900 0.2192160
2 0.5269550 0.8223210
S 1
1 0.1667140 1.0000000
P 1
1 0.1667140 1.0000000
D 1
1 0.7500000 1.0000000
ARGON
S 3
1 1553.7100000 0.0641707
2 234.6780000 0.3787970
3 51.0121000 0.6797520
S 3
1 70.0453000 -0.0974661
2 16.1473000 0.0390569
3 4.5349200 0.9999160
P 3
1 70.0453000 0.1076190
2 16.1473000 0.4595760
3 4.5349200 0.6000410
S 2
1 1.5420900 -0.1768660
2 0.6072670 1.1469000
P 2
1 1.5420900 0.2556870
2 0.6072670 0.7898420
S 1
1 0.1953730 1.0000000
P 1
1 0.1953730 1.0000000
D 1
1 0.8500000 1.0000000

335
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@ -0,0 +1,335 @@
HYDROGEN
S 2
1 4.50036231 0.15631167
2 0.68128924 0.90466909
S 1
1 0.15137639 1.0000000
HELIUM
S 2
1 13.62310172 0.17525420
2 1.99894370 0.89346310
S 1
1 0.38294258 1.0000000
LITHIUM
S 3
1 261.70980712 0.02718392
2 39.38599444 0.19946919
3 8.90009112 0.84471834
S 2
1 2.4055052 0.5668080
2 0.7056404 0.4969321
P 2
1 2.4055052 -0.0003168
2 0.7056404 1.0002034
S 1
1 0.0477987 1.0000000
P 1
1 0.0477987 1.0000000
BERYLLIUM
S 3
1 503.79744442 0.02656239
2 75.82361701 0.19608914
3 17.18781371 0.84744314
S 2
1 4.7133022 0.5525236
2 1.4188020 0.5089785
P 2
1 4.7133022 -0.0093932
2 1.4188020 1.0061113
S 1
1 0.1045489 1.0000000
P 1
1 0.1045489 1.0000000
BORON
S 3
1 338.23459961 0.03374414
2 50.98058060 0.23775108
3 11.39060370 0.81212145
S 2
1 0.5671686 0.2264994
2 0.1423699 0.8250854
P 2
1 0.5671686 0.4391700
2 0.1423699 0.6809589
S 1
1 3.0318278 1.0000000
P 1
1 3.0318278 1.0000000
CARBON
S 3
1 499.24042249 0.03330322
2 75.25419194 0.23617745
3 16.86538669 0.81336259
S 2
1 0.8973948 0.2400857
2 0.2174677 0.8160376
P 2
1 0.8973948 0.4621468
2 0.2174677 0.6652910
S 1
1 4.5266045 1.0000000
P 1
1 4.5266045 1.0000000
NITROGEN
S 3
1 693.92431602 0.03294106
2 104.60302038 0.23480293
3 23.49023698 0.81448223
S 2
1 1.2906896 0.2487678
2 0.3074229 0.8099703
P 2
1 1.2906896 0.4766938
2 0.3074229 0.6545521
S 1
1 6.3345667 1.0000000
P 1
1 6.3345667 1.0000000
OXYGEN
S 3
1 910.10034975 0.03280967
2 137.19711335 0.23422391
3 30.85279077 0.81490980
S 2
1 1.7288589 0.2738966
2 0.3995477 0.7911244
P 2
1 1.7288589 0.4815575
2 0.3995477 0.6544786
S 1
1 8.3506598 1.0000000
P 1
1 8.3506598 1.0000000
FLUORINE
S 3
1 1162.26781448 0.03263225
2 175.21411023 0.23347259
3 39.44340117 0.81551836
S 2
1 0.5074697 0.7810006
2 2.2356275 0.2875295
P 2
1 0.5074697 0.6514899
2 2.2356275 0.4876855
S 1
1 10.6990817 1.0000000
P 1
1 10.6990817 1.0000000
NEON
S 3
1 1451.46006052 0.03243674
2 218.80907282 0.23265762
3 49.29660639 0.81620225
S 2
1 0.6313923 0.7759737
2 2.8144747 0.2945506
P 2
1 0.6313923 0.6484726
2 2.8144747 0.4928525
S 1
1 13.3889540 1.0000000
P 1
1 13.3889540 1.0000000
SODIUM
S 3
1 7320.01017255 0.02330366
2 1099.21475690 0.17562017
3 248.47102766 0.86488331
S 3
1 68.1051728 0.3540283
2 20.8661276 0.5735751
3 6.4946014 0.1673502
P 3
1 68.1051728 0.0462077
2 20.8661276 0.2134710
3 6.4946014 0.8276304
S 2
1 2.0250827 0.5518979
2 0.6063515 0.5101106
P 2
1 2.0250827 0.6104457
2 0.6063515 0.4887760
S 1
1 0.0420443 1.0000000
P 1
1 0.0420443 1.0000000
MAGNESIUM
S 3
1 9468.12001271 0.02306231
2 1421.53310401 0.17358024
3 321.28960847 0.86656933
S 3
1 88.0806445 0.3278306
2 27.0170116 0.5707361
3 8.5871857 0.1985993
P 3
1 88.0806445 0.0456736
2 27.0170116 0.2108545
3 8.5871857 0.8281090
S 2
1 2.7439323 0.4841054
2 0.8579011 0.5735537
P 2
1 2.7439323 0.6090629
2 0.8579011 0.4838957
S 1
1 0.0720620 1.0000000
P 1
1 0.0720620 1.0000000
ALUMINUM
S 3
1 11793.72923854 0.02289401
2 1770.45604036 0.17213922
3 400.06339907 0.86776492
S 3
1 109.6400702 0.3105346
2 33.6478488 0.5666240
3 10.8373747 0.2211995
P 3
1 109.6400702 0.0451815
2 33.6478488 0.2092805
3 10.8373747 0.8284277
S 2
1 3.5254310 0.4406920
2 1.1426148 0.6125828
P 2
1 3.5254310 0.6117759
2 1.1426148 0.4758892
S 1
1 0.1132940 1.0000000
P 1
1 0.1132940 1.0000000
SILICON
S 3
1 13955.62828382 0.02280973
2 2094.81304780 0.17143469
3 473.12990622 0.86836878
S 3
1 129.4740398 0.3061627
2 39.6916235 0.5663350
3 12.8265855 0.2259984
P 3
1 129.4740398 0.0228097
2 39.6916235 0.2097172
3 12.8265855 0.8279136
S 2
1 4.2220107 0.4376679
2 1.4174756 0.6125188
P 2
1 4.2220107 0.6281427
2 1.4174756 0.4536954
S 1
1 0.1638884 1.0000000
P 1
1 0.1638884 1.0000000
PHOSPHORUS
S 3
1 15151.94544206 0.02286522
2 2274.34114677 0.17211413
3 513.08292993 0.86787870
S 3
1 139.8203604 0.3270060
2 42.6622982 0.5743894
3 13.5916282 0.1952971
P 3
1 139.8203604 0.0228652
2 42.6622982 0.2145737
3 13.5916282 0.8251566
S 2
1 4.4731734 0.5288481
2 1.5583886 0.5196746
P 2
1 4.4731734 0.6843779
2 1.5583886 0.3881232
S 1
1 0.2203438 1.0000000
P 1
1 0.2203438 1.0000000
SULFUR
S 3
1 12715.98885260 0.02351515
2 1909.10567091 0.17838697
3 429.10047704 0.86294128
S 3
1 115.2856604 0.4539866
2 34.5442995 0.5613456
3 10.4321074 0.0647941
P 3
1 115.2856604 0.0508694
2 34.5442995 0.2501660
3 10.4321074 0.7988686
S 2
1 0.7834588 0.1604044
2 0.2143250 0.8748423
P 2
1 0.7834588 0.3429796
2 0.2143250 0.7527595
S 1
1 3.2298061 1.0000000
P 1
1 3.2298061 1.0000000
CHLORINE
S 3
1 14500.35608106 0.02344138
2 2176.80649430 0.17792925
3 488.98549689 0.86335580
S 3
1 131.1386603 0.4530395
2 39.2194217 0.5631736
3 11.8894499 0.0636309
P 3
1 131.1386603 0.0509077
2 39.2194217 0.2500132
3 11.8894499 0.7986268
S 2
1 0.8699623 0.2313082
2 0.2462718 0.8137426
P 2
1 0.8699623 0.3970012
2 0.2462718 0.7022388
S 1
1 3.7221385 1.0000000
P 1
1 3.7221385 1.0000000
ARGON
S 3
1 16573.92190582 0.02334667
2 2487.85495144 0.17728956
3 558.59858877 0.86391334
S 3
1 149.6098098 0.4474468
2 44.6949256 0.5662798
3 13.6070650 0.0667210
P 3
1 149.6098098 0.0505754
2 44.6949256 0.2494461
3 13.6070650 0.7988248
S 2
1 1.0080542 0.2633373
2 0.2877699 0.7855456
P 2
1 1.0080542 0.4261746
2 0.2877699 0.6751394
S 1
1 4.3095468 1.0000000
P 1
1 4.3095468 1.0000000

401
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@ -0,0 +1,401 @@
HYDROGEN
S 2
1 13.01072961 0.13140985
2 1.96226117 0.92113973
S 2
1 0.44453873 0.52276833
2 0.12194975 0.54767537
HELIUM
S 2
1 38.35494849 0.14069699
2 5.76890973 0.91521787
S 2
1 1.23994099 0.51813571
2 0.29757820 0.56557984
LITHIUM
S 4
1 6.22125269 0.78078507
2 22.26326619 0.24241842
3 97.91236393 0.05071977
4 651.92839884 0.00665110
S 2
1 0.6332111 0.4493916
2 1.9317406 0.6032110
P 2
1 0.6332111 0.9782011
2 1.9317406 0.0311949
S 2
1 0.0724516 0.5053142
2 0.0281069 0.5343244
P 2
1 0.0724516 0.5607442
2 0.0281069 0.5041073
BERYLLIUM
S 4
1 1281.42397277 0.00638749
2 192.45605825 0.04892235
3 43.77835437 0.23614153
4 12.28075755 0.78695107
S 2
1 3.8605221 0.5829254
2 1.2886152 0.4686491
P 2
1 3.8605221 0.0490595
2 1.2886152 0.9651129
S 2
1 0.1803211 0.4747599
2 0.0590865 0.5785516
P 2
1 0.1803211 0.6556898
2 0.0590865 0.4276269
BORON
S 4
1 14.79897262 0.77662984
2 53.13843475 0.24686659
3 233.85790611 0.05163985
4 1556.51868555 0.00681146
S 2
1 4.5729469 0.7318617
2 1.4651351 0.3145084
P 2
1 4.5729469 0.2130000
2 1.4651351 0.8427725
S 2
1 0.3951872 0.4119663
2 0.1115842 0.6519406
P 2
1 0.3951872 0.5213535
2 0.1115842 0.5875077
CARBON
S 4
1 2324.66403640 0.00663675
2 349.22183834 0.05032142
3 79.30064261 0.24296909
4 22.00625885 0.78100128
S 2
1 2.0355583 0.2977252
2 6.7042043 0.7508876
P 2
1 2.0355583 0.8331265
2 6.7042043 0.2307614
S 2
1 0.1660944 0.6202031
2 0.5944799 0.4464955
P 2
1 0.1660944 0.5650697
2 0.5944799 0.5457846
NITROGEN
S 4
1 3386.19941553 0.00641147
2 508.59363913 0.04868181
3 115.40912068 0.23762421
4 31.91269701 0.78678387
S 2
1 2.8366964 0.3040602
2 9.6071525 0.7472116
P 2
1 2.8366964 0.8351146
2 9.6071525 0.2312800
S 2
1 0.2325638 0.6084392
2 0.8408824 0.4597622
P 2
1 0.2325638 0.5526279
2 0.8408824 0.5597836
OXYGEN
S 4
1 4530.85789482 0.00629477
2 680.44844407 0.04781525
3 154.30182625 0.23478343
4 42.51652760 0.78995730
S 2
1 12.6632599 0.7578720
2 3.6103608 0.2949348
P 2
1 12.6632599 0.2311675
2 3.6103608 0.8382198
S 2
1 1.0750598 0.5134954
2 0.2913296 0.5580519
P 2
1 1.0750598 0.5643707
2 0.2913296 0.5510987
FLUORINE
S 4
1 5968.40531277 0.00615808
2 896.22492628 0.04681854
3 203.09522485 0.23139253
4 55.77547708 0.79364873
S 2
1 4.6027811 0.2970974
2 16.4624365 0.7573727
P 2
1 4.6027811 0.8412919
2 16.4624365 0.2293523
S 2
1 0.3637554 0.5353187
2 1.3640929 0.5379498
P 2
1 0.3637554 0.5474636
2 1.3640929 0.5704022
NEON
S 4
1 7685.45939082 0.79717471
2 1153.90851265 0.22813533
3 261.31379877 0.04587396
4 71.53455115 0.00602839
S 2
1 20.9439475 0.7532955
2 5.7822049 0.3027628
P 2
1 20.9439475 0.2271806
2 5.7822049 0.8440254
S 2
1 1.7042004 0.5484446
2 0.4490377 0.5259749
P 2
1 1.7042004 0.5753751
2 0.4490377 0.5442607
SODIUM
S 4
1 59005.87155763 0.00473939
2 8843.17387951 0.03779888
3 2008.73059640 0.19013983
4 561.94736148 0.83239318
S 4
1 176.5722672 0.1226989
2 60.1103246 0.3167733
3 21.9587185 0.4707106
4 8.2902129 0.2096890
P 4
1 176.5722672 0.0136228
2 60.1103246 0.0559976
3 21.9587185 0.2458706
4 8.2902129 0.7716632
S 3
1 3.1369111 0.1587859
2 1.1623525 0.7083180
3 0.4171313 0.1868763
P 3
1 3.1369111 0.4099224
2 1.1623525 0.4832793
3 0.4171313 0.2477755
S 1
1 0.0416068 1.0000000
P 1
1 0.0416068 1.0000000
MAGNESIUM
S 4
1 72842.35243521 0.00470575
2 10916.45507428 0.03764326
3 2479.23513566 0.18879433
4 692.83977420 0.83367701
S 4
1 217.0903788 0.1188871
2 73.6784602 0.3113488
3 26.8830790 0.4717284
4 10.1758059 0.2178335
P 4
1 217.0903788 0.0133111
2 73.6784602 0.0555474
3 26.8830790 0.2461046
4 10.1758059 0.7715388
S 3
1 3.8880574 0.1453501
2 1.4842146 0.7266953
3 0.5645307 0.1744478
P 3
1 3.8880574 0.4284675
2 1.4842146 0.4810072
3 0.5645307 0.2179877
S 1
1 0.0708322 1.0000000
P 1
1 0.0708322 1.0000000
ALUMINUM
S 4
1 62847.68542369 0.00475706
2 9420.16948493 0.03784895
3 2138.10104481 0.19058192
4 595.28581279 0.83227640
S 4
1 184.4777021 0.1703426
2 61.5733733 0.4072904
3 22.1491792 0.4473109
4 7.8443532 0.0886034
P 4
1 184.4777021 0.0148341
2 61.5733733 0.0588009
3 22.1491792 0.2651506
4 7.8443532 0.7596923
S 2
1 2.8455438 0.5718592
2 1.0270284 0.4732452
P 2
1 2.8455438 0.6363301
2 1.0270284 0.4352139
S 2
1 0.1999730 0.4559291
2 0.0642240 0.5986403
P 2
1 0.1999730 0.4834448
2 0.0642240 0.6057942
SILICON
S 4
1 77268.41073923 0.00471727
2 11581.04064378 0.03765241
3 2628.14424648 0.18908175
4 731.10993167 0.83369708
S 4
1 226.1265206 0.1610288
2 75.3450220 0.3941669
3 27.0908642 0.4578323
4 9.6842061 0.1016937
P 4
1 226.1265206 0.0143163
2 75.3450220 0.0581309
3 27.0908642 0.2628431
4 9.6842061 0.7612441
S 2
1 3.5630530 0.5334106
2 1.3210938 0.5098776
P 2
1 3.5630530 0.6397580
2 1.3210938 0.4280609
S 2
1 0.2954805 0.4421500
2 0.0929931 0.6137126
P 2
1 0.2954805 0.5146211
2 0.0929931 0.5784446
PHOSPHORUS
S 4
1 92357.70879877 0.00468580
2 13842.04110935 0.03749475
3 3140.72424901 0.18789116
4 872.93283981 0.83483671
S 4
1 269.4195861 0.1551819
2 89.5849593 0.3860613
3 32.1873117 0.4639498
4 11.5763431 0.1101390
P 4
1 269.4195861 0.0139519
2 89.5849593 0.0577296
3 32.1873117 0.2615857
4 11.5763431 0.7620385
S 2
1 4.3027893 0.5134948
2 1.6297293 0.5280782
P 2
1 4.3027893 0.6477859
2 1.6297293 0.4168122
S 2
1 0.4006409 0.4350584
2 0.1255322 0.6209085
P 2
1 0.4006409 0.5381355
2 0.1255322 0.5559010
SULFUR
S 4
1 105207.77721164 0.00466626
2 15767.60700913 0.03738270
3 3576.84913332 0.18716417
4 992.96958124 0.83557729
S 4
1 305.5446294 0.1563136
2 101.2488590 0.3900735
3 36.3191855 0.4627498
4 13.0656717 0.1057229
P 4
1 305.5446294 0.0138950
2 101.2488590 0.0581229
3 36.3191855 0.2632335
4 13.0656717 0.7604021
S 2
1 4.8771489 0.5422624
2 1.8794445 0.4978607
P 2
1 4.8771489 0.6744959
2 1.8794445 0.3860830
S 2
1 0.4998451 0.4784587
2 0.1519600 0.5816080
P 2
1 0.4998451 0.5649462
2 0.1519600 0.5333847
CHLORINE
S 4
1 117980.86046310 0.00465032
2 17681.61590091 0.03728028
3 4010.11959383 0.18659505
4 1111.87202959 0.83618135
S 4
1 341.0574740 0.1588526
2 112.6038045 0.3965106
3 40.3147357 0.4599213
4 14.4871015 0.0989003
P 4
1 341.0574740 0.0138855
2 112.6038045 0.0586718
3 40.3147357 0.2651769
4 14.4871015 0.7585583
S 2
1 5.4173765 0.5836808
2 2.1070388 0.4551476
P 2
1 5.4173765 0.7052671
2 2.1070388 0.3515798
S 2
1 0.6031114 0.5091668
2 0.1819077 0.5521544
P 2
1 0.6031114 0.5920643
2 0.1819077 0.5068226
ARGON
S 4
1 131046.47324332 0.00463624
2 19639.52538669 0.03718266
3 4453.13641931 0.18611062
4 1233.16552904 0.83671117
S 4
1 377.0737869 0.1619051
2 124.0361793 0.4037553
3 44.3153241 0.4562757
4 15.9007400 0.0914914
P 4
1 377.0737869 0.0138856
2 124.0361793 0.0592987
3 44.3153241 0.2670314
4 15.9007400 0.7567962
S 2
1 5.9481629 0.6304498
2 2.3138920 0.4070714
P 2
1 5.9481629 0.7371651
2 2.3138920 0.3163721
S 2
1 0.7074051 0.4777357
2 0.2141649 0.5248880
P 2
1 0.7074051 0.6193969
2 0.2141649 0.5361868

254
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@ -0,0 +1,254 @@
HYDROGEN
S 3
1 18.7311370 0.0334946
2 2.8253944 0.2347269
3 0.6401217 0.8137573
S 1
1 0.1612778 1.0000000
HELIUM
S 3
1 38.4216340 0.0237660
2 5.7780300 0.1546790
3 1.2417740 0.4696300
S 1
1 0.2979640 1.0000000
LITHIUM
S 5
1 275.3944400 0.00612185
2 41.4351750 0.04511296
3 9.3669938 0.19269415
4 2.5377253 0.46854421
5 0.7466365 0.44060752
S 2
1 0.7345643 -0.2525368
2 0.0871980 1.0973408
P 2
1 0.7345643 0.1435917
2 0.0871980 0.9478030
S 1
1 0.0404387 1.0000000
P 1
1 0.0404387 1.0000000
BERYLLIUM
S 5
1 554.0100000 0.00540997
2 83.2631000 0.04025150
3 18.8635000 0.17685800
4 5.1778200 0.45255900
5 1.5560200 0.47029300
S 2
1 1.4417525 -0.4774290
2 0.3018611 1.2474500
P 2
1 1.4417525 0.2011420
2 0.3018611 0.8844830
S 1
1 0.1009614 1.0000000
P 1
1 0.1009614 1.0000000
BORON
S 4
1 330.7528500 0.0179942
2 49.8438650 0.1246937
3 11.1170540 0.4343354
4 2.9227243 0.5609794
S 3
1 5.6812646 -0.1303871
2 1.4544046 -0.2514344
3 0.4283786 1.2051292
P 3
1 5.6812646 0.0637429
2 1.4544046 0.2761331
3 0.4283786 0.7773866
S 1
1 0.1442192 1.0000000
P 1
1 0.1442192 1.0000000
CARBON
S 4
1 486.9669300 0.0177258
2 73.3710940 0.1234787
3 16.4134580 0.4338754
4 4.3449836 0.5615042
S 3
1 8.6735253 -0.1213837
2 2.0966193 -0.2273385
3 0.6046513 1.1851739
P 3
1 8.6735253 0.0635454
2 2.0966193 0.2982678
3 0.6046513 0.7621032
S 1
1 0.1835578 1.0000000
P 1
1 0.1835578 1.0000000
NITROGEN
S 4
1 671.2795000 0.0175982511
2 101.2017000 0.1228462410
3 22.6999700 0.4337821410
4 6.0406090 0.5614182170
S 3
1 12.3935997 -0.1174893
2 2.9223828 -0.2139940
3 0.8325281 1.1745021
P 3
1 12.3935997 0.0640203
2 2.9223828 0.3112026
3 0.8325281 0.7527482
S 1
1 0.2259640 1.0000000
P 1
1 0.2259640 1.0000000
OXYGEN
S 4
1 883.2728600 0.0175506
2 133.1292800 0.1228292
3 29.9064080 0.4348836
4 7.9786772 0.5600108
S 3
1 16.1944470 -0.1134010
2 3.7800860 -0.1772865
3 1.0709836 1.1504079
P 3
1 16.1944470 0.0685453
2 3.7800860 0.3312254
3 1.0709836 0.7346079
S 1
1 0.2838798 1.0000000
P 1
1 0.2838798 1.0000000
FLUORINE
S 4
1 1126.1630000 0.0174758
2 169.7432000 0.1225230
3 38.1815100 0.4349990
4 10.2120400 0.5598120
S 3
1 21.4953700 -0.1110570
2 4.9897780 -0.1683220
3 1.4035740 1.1436260
P 3
1 21.4953700 0.0698880
2 4.9897780 0.3393880
3 1.4035740 0.7279590
S 1
1 0.3730318 1.0000000
P 1
1 0.3730318 1.0000000
NEON
S 4
1 1397.9321000 0.017423805
2 210.7697800 0.122272745
3 47.4672570 0.435014232
4 12.7226260 0.559714642
S 3
1 27.2130330 -0.1096094
2 6.2941344 -0.1641249
3 1.7600513 1.1401516
P 3
1 27.2130330 0.0704403
2 6.2941344 0.3439930
3 1.7600513 0.7245150
S 1
1 0.4618670 1.0000000
P 1
1 0.4618670 1.0000000
PHOSPHORUS
S 4
1 3018.6718000 0.0185213137
2 455.1271210 0.129904864
3 102.3147300 0.455100288
4 27.61784730 0.533131861
S 4
1 114.4294010 -0.0247503
2 26.5822959 -0.1350925
3 7.8718889 0.2277361
4 2.4878572 0.8755931
P 4
1 114.4294010 0.0274140
2 26.5822959 0.1690791
3 7.8718889 0.4691021
4 2.4878572 0.5181531
S 3
1 50.7506190 -0.0451192
2 1.6728624 -0.8504730
3 0.6210974 1.5962858
P 3
1 50.7506190 0.0037791
2 1.6728624 -0.0463438
3 0.6210974 1.0339443
S 1
1 0.1670160 1.0000000
P 1
1 0.1670160 1.0000000
SULFUR
S 4
1 3442.1244000 0.0184921
2 518.9131000 0.1298220
3 116.6909000 0.4550418
4 31.5716470 0.5330084
S 4
1 127.4405800 -0.0272646
2 29.7476670 -0.1424834
3 8.8346642 0.2597043
4 2.8173898 0.8525473
P 4
1 127.4405800 0.0291520
2 29.7476670 0.1779597
3 8.8346642 0.4836237
4 2.8173898 0.4942553
S 3
1 3.7291854 -0.2775315
2 1.4067702 -0.4576435
3 0.5481100 1.4316843
P 3
1 3.7291854 -0.0337509
2 1.4067702 0.1457110
3 0.5481100 0.8982887
S 1
1 0.1703809 1.0000000
P 1
1 0.1703809 1.0000000
CHLORINE
S 4
1 3910.3026000 0.0183794
2 589.5518000 0.1291401
3 132.5939200 0.4540448
4 35.9035420 0.5344394
S 4
1 147.7653500 -0.0267433
2 34.5060750 -0.1446911
3 10.2864710 0.2517035
4 3.3111473 0.8598203
P 4
1 147.7653500 0.0288645
2 34.5060750 0.1779647
3 10.2864710 0.4869998
4 3.3111473 0.4890184
S 3
1 4.2802849 -0.2703963
2 1.6410167 -0.3416297
3 0.6144785 1.3500245
P 3
1 4.2802849 -0.0367028
2 1.6410167 0.1918492
3 0.6144785 0.8643376
S 1
1 0.1956594 1.0000000
P 1
1 0.1956594 1.0000000

1063
basis/5zp Normal file
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File diff suppressed because it is too large Load Diff

639
basis/6-31++g Normal file
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@ -0,0 +1,639 @@
HYDROGEN
S 3
1 18.7311370 0.03349460
2 2.8253937 0.23472695
3 0.6401217 0.81375733
S 1
1 0.1612778 1.0000000
S 1
1 0.0360000 1.0000000
HELIUM
S 3
1 0.3842163400E+02 0.4013973935E-01
2 0.5778030000E+01 0.2612460970E+00
3 0.1241774000E+01 0.7931846246E+00
S 1
1 0.2979640000E+00 1.0000000
S 1
1 0.8600000000E-01 0.1000000000E+01
LITHIUM
S 6
1 642.4189200 0.0021426
2 96.7985150 0.0162089
3 22.0911210 0.0773156
4 6.2010703 0.2457860
5 1.9351177 0.4701890
6 0.6367358 0.3454708
S 3
1 2.3249184 -0.0350917
2 0.6324306 -0.1912328
3 0.0790534 1.0839878
P 3
1 2.3249184 0.0089415
2 0.6324306 0.1410095
3 0.0790534 0.9453637
S 1
1 0.0359620 1.0000000
P 1
1 0.0359620 1.0000000
S 1
1 0.0074000 1.0000000
P 1
1 0.0074000 1.0000000
BERYLLIUM
S 6
1 1264.5857000 0.0019448
2 189.9368100 0.0148351
3 43.1590890 0.0720906
4 12.0986630 0.2371542
5 3.8063232 0.4691987
6 1.2728903 0.3565202
S 3
1 3.1964631 -0.1126487
2 0.7478133 -0.2295064
3 0.2199663 1.1869167
P 3
1 3.1964631 0.0559802
2 0.7478133 0.2615506
3 0.2199663 0.7939723
S 1
1 0.0823099 1.0000000
P 1
1 0.0823099 1.0000000
S 1
1 0.0207000 1.0000000
P 1
1 0.0207000 1.0000000
BORON
S 6
1 2068.8823000 0.0018663
2 310.6495700 0.0142515
3 70.6830330 0.0695516
4 19.8610800 0.2325729
5 6.2993048 0.4670787
6 2.1270270 0.3634314
S 3
1 4.7279710 -0.1303938
2 1.1903377 -0.1307889
3 0.3594117 1.1309444
P 3
1 4.7279710 0.0745976
2 1.1903377 0.3078467
3 0.3594117 0.7434568
S 1
1 0.1267512 1.0000000
P 1
1 0.1267512 1.0000000
S 1
1 0.0315000 1.0000000
P 1
1 0.0315000 1.0000000
CARBON
S 6
1 3047.5249000 0.0018347
2 457.3695100 0.0140373
3 103.9486900 0.0688426
4 29.2101550 0.2321844
5 9.2866630 0.4679413
6 3.1639270 0.3623120
S 3
1 7.8682724 -0.1193324
2 1.8812885 -0.1608542
3 0.5442493 1.1434564
P 3
1 7.8682724 0.0689991
2 1.8812885 0.3164240
3 0.5442493 0.7443083
S 1
1 0.1687144 1.0000000
P 1
1 0.1687144 1.0000000
S 1
1 0.0438000 1.0000000
P 1
1 0.0438000 1.0000000
NITROGEN
S 6
1 4173.5110000 0.0018348
2 627.4579000 0.0139950
3 142.9021000 0.0685870
4 40.2343300 0.2322410
5 12.8202100 0.4690700
6 4.3904370 0.3604550
S 3
1 11.6263580 -0.1149610
2 2.7162800 -0.1691180
3 0.7722180 1.1458520
P 3
1 11.6263580 0.0675800
2 2.7162800 0.3239070
3 0.7722180 0.7408950
S 1
1 0.2120313 1.0000000
P 1
1 0.2120313 1.0000000
S 1
1 0.0639000 1.0000000
P 1
1 0.0639000 1.0000000
OXYGEN
S 6
1 5484.6717000 0.0018311
2 825.2349500 0.0139501
3 188.0469600 0.0684451
4 52.9645000 0.2327143
5 16.8975700 0.4701930
6 5.7996353 0.3585209
S 3
1 15.5396160 -0.1107775
2 3.5999336 -0.1480263
3 1.0137618 1.1307670
P 3
1 15.5396160 0.0708743
2 3.5999336 0.3397528
3 1.0137618 0.7271586
S 1
1 0.2700058 1.0000000
P 1
1 0.2700058 1.0000000
S 1
1 0.0845000 1.0000000
P 1
1 0.0845000 1.0000000
FLUORINE
S 6
1 7001.7130900 0.0018196169
2 1051.3660900 0.0139160796
3 239.2856900 0.0684053245
4 67.3974453 0.233185760
5 21.5199573 0.471267439
6 7.40310130 0.356618546
S 3
1 20.8479528 -0.1085070
2 4.8083083 -0.1464517
3 1.3440699 1.1286886
P 3
1 20.8479528 0.0716287
2 4.8083083 0.3459121
3 1.3440699 0.7224700
S 1
1 0.3581514 1.0000000
P 1
1 0.3581514 1.0000000
S 1
1 0.1076000 1.0000000
P 1
1 0.1076000 1.0000000
NEON
S 6
1 8425.8515300 0.0018843481
2 1268.5194000 0.0143368994
3 289.6214140 0.0701096233
4 81.8590040 0.2373732660
5 26.2515079 0.4730071260
6 9.09472051 0.3484012410
S 3
1 26.5321310 -0.1071183
2 6.1017550 -0.1461638
3 1.6962715 1.1277735
P 3
1 26.5321310 0.0719096
2 6.1017550 0.3495134
3 1.6962715 0.7199405
S 1
1 0.4458187 1.0000000
P 1
1 0.4458187 1.0000000
S 1
1 0.1300000 1.0000000
P 1
1 0.1300000 1.0000000
SODIUM
S 6
1 9993.2000000 0.0019377
2 1499.8900000 0.0148070
3 341.9510000 0.0727060
4 94.6797000 0.2526290
5 29.7345000 0.4932420
6 10.0063000 0.3131690
S 6
1 150.9630000 -0.0035421
2 35.5878000 -0.0439590
3 11.1683000 -0.1097521
4 3.9020100 0.1873980
5 1.3817700 0.6466990
6 0.4663820 0.3060580
P 6
1 150.9630000 0.0050017
2 35.5878000 0.0355110
3 11.1683000 0.1428250
4 3.9020100 0.3386200
5 1.3817700 0.4515790
6 0.4663820 0.2732710
S 3
1 0.4979660 -0.2485030
2 0.0843530 -0.1317040
3 0.0666350 1.2335200
P 3
1 0.4979660 -0.0230230
2 0.0843530 0.9503590
3 0.0666350 0.0598580
S 1
1 0.0259544 1.0000000
P 1
1 0.0259544 1.0000000
S 1
1 0.0076000 1.0000000
P 1
1 0.0076000 1.0000000
MAGNESIUM
S 6
1 11722.8000000 0.0019778
2 1759.9300000 0.0151140
3 400.8460000 0.0739110
4 112.8070000 0.2491910
5 35.9997000 0.4879280
6 12.1828000 0.3196620
S 6
1 189.1800000 -0.0032372
2 45.2119000 -0.0410080
3 14.3563000 -0.1126000
4 5.1388600 0.1486330
5 1.9065200 0.6164970
6 0.7058870 0.3648290
P 6
1 189.1800000 0.0049281
2 45.2119000 0.0349890
3 14.3563000 0.1407250
4 5.1388600 0.3336420
5 1.9065200 0.4449400
6 0.7058870 0.2692540
S 3
1 0.9293400 -0.2122900
2 0.2690350 -0.1079850
3 0.1173790 1.1758400
P 3
1 0.9293400 -0.0224190
2 0.2690350 0.1922700
3 0.1173790 0.8461810
S 1
1 0.0421061 1.0000000
P 1
1 0.0421061 1.0000000
S 1
1 0.0146000 1.0000000
P 1
1 0.0146000 1.0000000
ALUMINUM
S 6
1 13983.1000000 0.00194267
2 2098.7500000 0.0148599
3 477.7050000 0.0728494
4 134.3600000 0.2468300
5 42.8709000 0.4872580
6 14.5189000 0.3234960
S 6
1 239.6680000 -0.0029262
2 57.4419000 -0.0374080
3 18.2859000 -0.1144870
4 6.5991400 0.1156350
5 2.4904900 0.6125950
6 0.9445400 0.3937990
P 6
1 239.6680000 0.0046029
2 57.4419000 0.0331990
3 18.2859000 0.1362820
4 6.5991400 0.3304760
5 2.4904900 0.4491460
6 0.9445400 0.2657040
S 3
1 1.2779000 -0.2276060
2 0.3975900 0.0014458
3 0.1600950 1.0927900
P 3
1 1.2779000 -0.0175130
2 0.3975900 0.2445330
3 0.1600950 0.8049340
S 1
1 0.0556577 1.0000000
P 1
1 0.0556577 1.0000000
S 1
1 0.0318000 1.0000000
P 1
1 0.0318000 1.0000000
SILICON
S 6
1 16115.9000000 0.00195948
2 2425.5800000 0.01492880
3 553.8670000 0.07284780
4 156.3400000 0.24613000
5 50.0683000 0.48591400
6 17.0178000 0.32500200
S 6
1 292.7180000 -0.0027809
2 69.8731000 -0.0357146
3 22.3363000 -0.1149850
4 8.1503900 0.0935634
5 3.1345800 0.6030170
6 1.2254300 0.4189590
P 6
1 292.7180000 0.0044383
2 69.8731000 0.0326679
3 22.3363000 0.1347210
4 8.1503900 0.3286780
5 3.1345800 0.4496400
6 1.2254300 0.2613720
S 3
1 1.7273800 -0.2446300
2 0.5729220 0.0043157
3 0.2221920 1.0981800
P 3
1 1.7273800 -0.0177951
2 0.5729220 0.2535390
3 0.2221920 0.8006690
S 1
1 0.0778369 1.0000000
P 1
1 0.0778369 1.0000000
S 1
1 0.0331000 1.0000000
P 1
1 0.0331000 1.0000000
PHOSPHORUS
S 6
1 19413.3000000 0.0018516
2 2909.4200000 0.0142062
3 661.3640000 0.0699995
4 185.7590000 0.2400790
5 59.1943000 0.4847620
6 20.0310000 0.3352000
S 6
1 339.4780000 -0.0027822
2 81.0101000 -0.0360499
3 25.8780000 -0.1166310
4 9.4522100 0.0968328
5 3.6656600 0.6144180
6 1.4674600 0.4037980
P 6
1 339.4780000 0.0045646
2 81.0101000 0.0336936
3 25.8780000 0.1397550
4 9.4522100 0.3393620
5 3.6656600 0.4509210
6 1.4674600 0.2385860
S 3
1 2.1562300 -0.2529230
2 0.7489970 0.0328517
3 0.2831450 1.0812500
P 3
1 2.1562300 -0.0177653
2 0.7489970 0.2740580
3 0.2831450 0.7854210
S 1
1 0.0998317 1.0000000
P 1
1 0.0998317 1.0000000
S 1
1 0.0348000 1.0000000
P 1
1 0.0348000 1.0000000
SULFUR
S 6
1 21917.1000000 0.0018690
2 3301.4900000 0.0142300
3 754.1460000 0.0696960
4 212.7110000 0.2384870
5 67.9896000 0.4833070
6 23.0515000 0.3380740
S 6
1 423.7350000 -0.0023767
2 100.7100000 -0.0316930
3 32.1599000 -0.1133170
4 11.8079000 0.0560900
5 4.6311000 0.5922550
6 1.8702500 0.4550060
P 6
1 423.7350000 0.0040610
2 100.7100000 0.0306810
3 32.1599000 0.1304520
4 11.8079000 0.3272050
5 4.6311000 0.4528510
6 1.8702500 0.2560420
S 3
1 2.6158400 -0.2503740
2 0.9221670 0.0669570
3 0.3412870 1.0545100
P 3
1 2.6158400 -0.0145110
2 0.9221670 0.3102630
3 0.3412870 0.7544830
S 1
1 0.1171670 1.0000000
P 1
1 0.1171670 1.0000000
S 1
1 0.0405000 1.0000000
P 1
1 0.0405000 1.0000000
CHLORINE
S 6
1 25180.1000000 0.0018330
2 3780.3500000 0.0140340
3 860.4740000 0.0690970
4 242.1450000 0.2374520
5 77.3349000 0.4830340
6 26.2470000 0.3398560
S 6
1 491.7650000 -0.0022974
2 116.9840000 -0.0307140
3 37.4153000 -0.1125280
4 13.7834000 0.0450160
5 5.4521500 0.5893530
6 2.2258800 0.4652060
P 6
1 491.7650000 0.0039894
2 116.9840000 0.0303180
3 37.4153000 0.1298800
4 13.7834000 0.3279510
5 5.4521500 0.4535270
6 2.2258800 0.2521540
S 3
1 3.1864900 -0.2518300
2 1.1442700 0.0615890
3 0.4203770 1.0601800
P 3
1 3.1864900 -0.0142990
2 1.1442700 0.3235720
3 0.4203770 0.7435070
S 1
1 0.1426570 1.0000000
P 1
1 0.1426570 1.0000000
S 1
1 0.0483000 1.0000000
P 1
1 0.0483000 1.0000000
ARGON
S 6
1 28348.3000000 0.00182526
2 4257.6200000 0.01396860
3 969.8570000 0.06870730
4 273.2630000 0.23620400
5 87.3695000 0.48221400
6 29.6867000 0.34204300
S 6
1 575.8910000 -0.0021597
2 136.8160000 -0.0290775
3 43.8098000 -0.1108270
4 16.2094000 0.0276999
5 6.4608400 0.5776130
6 2.6511400 0.4886880
P 6
1 575.8910000 0.0038066
2 136.8160000 0.0292305
3 43.8098000 0.1264670
4 16.2094000 0.3235100
5 6.4608400 0.4548960
6 2.6511400 0.2566300
S 3
1 3.8602800 -0.2555920
2 1.4137300 0.0378066
3 0.5166460 1.0805600
P 3
1 3.8602800 -0.0159197
2 1.4137300 0.3246460
3 0.5166460 0.7439900
S 1
1 0.1738880 1.0000000
P 1
1 0.1738880 1.0000000
S 1
1 0.0600000 1.0000000
P 1
1 0.0600000 1.0000000
POTASSIUM
S 6
1 31594.4200000 1.828010E-03
2 4744.3300000 1.399403E-02
3 1080.4190000 6.887129E-02
4 304.2338000 2.369760E-01
5 97.2458600 4.829040E-01
6 33.0249500 3.404795E-01
S 6
1 622.7625000 -0.0025030
2 147.8839000 -0.0331555
3 47.3273500 -0.1226387
4 17.5149500 0.0535364
5 6.9227220 0.6193860
6 2.7682770 0.4345878
P 6
1 622.7625000 0.0040946
2 147.8839000 0.0314520
3 47.3273500 0.1351558
4 17.5149500 0.3390500
5 6.9227220 0.4629455
6 2.7682770 0.2242638
S 6
1 11.8480200 0.0127769
2 4.0792110 0.2098767
3 1.7634810 -0.0030953
4 0.7889270 -0.5593884
5 0.3503870 -0.5134760
6 0.1463440 -0.0659803
P 6
1 11.8480200 -0.0122138
2 4.0792110 -0.0069005
3 1.7634810 0.2007466
4 0.7889270 0.4281332
5 0.3503870 0.3970156
6 0.1463440 0.1104718
S 3
1 0.7168010 -0.0523777
2 0.2337410 -0.2798503
3 0.0386750 1.1415470
P 3
1 0.7168010 0.0316430
2 0.2337410 -0.0404616
3 0.0386750 1.0120290
S 1
1 0.0165210 1.0000000
P 1
1 0.0165210 1.0000000
S 1
1 0.0047000 1.0000000
P 1
1 0.0047000 1.0000000
CALCIUM
S 6
1 35264.8600000 1.813501E-03
2 5295.5030000 1.388493E-02
3 1206.0200000 6.836162E-02
4 339.6839000 2.356188E-01
5 108.6264000 4.820639E-01
6 36.9210300 3.429819E-01
S 6
1 706.3096000 0.0024482
2 167.8187000 0.0324150
3 53.8255800 0.1226219
4 20.0163800 -0.0431696
5 7.9702790 -0.6126995
6 3.2120590 -0.4487540
P 6
1 706.3096000 0.0040204
2 167.8187000 0.0310060
3 53.8255800 0.1337279
4 20.0163800 0.3367983
5 7.9702790 0.4631281
6 3.2120590 0.2257532
S 6
1 14.1951800 0.0108450
2 4.8808280 0.2088333
3 2.1603900 0.0315034
4 0.9878990 -0.5526518
5 0.4495170 -0.5437997
6 0.1873870 -0.0666934
P 6
1 14.1951800 -0.0128962
2 4.8808280 -0.0102520
3 2.1603900 0.1959781
4 0.9878990 0.4357933
5 0.4495170 0.3996452
6 0.1873870 0.0971364
S 3
1 1.0322710 -0.0443972
2 0.3811710 -0.3284563
3 0.0651310 1.1630100
P 3
1 1.0322710 -0.4298621
2 0.3811710 0.0069358
3 0.0651310 0.9705933
S 1
1 0.0260100 1.0000000
P 1
1 0.0260100 1.0000000
S 1
1 0.0071000 1.0000000
P 1
1 0.0071000 1.0000000

655
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LITHIUM
S 6
1 642.4189200 0.0021426
2 96.7985150 0.0162089
3 22.0911210 0.0773156
4 6.2010703 0.2457860
5 1.9351177 0.4701890
6 0.6367358 0.3454708
S 3
1 2.3249184 -0.0350917
2 0.6324306 -0.1912328
3 0.0790534 1.0839878
P 3
1 2.3249184 0.0089415
2 0.6324306 0.1410095
3 0.0790534 0.9453637
S 1
1 0.0359620 1.0000000
P 1
1 0.0359620 1.0000000
S 1
1 0.0074000 1.0000000
P 1
1 0.0074000 1.0000000
D 1
1 0.2000000 1.0000000
BERYLLIUM
S 6
1 1264.5857000 0.0019448
2 189.9368100 0.0148351
3 43.1590890 0.0720906
4 12.0986630 0.2371542
5 3.8063232 0.4691987
6 1.2728903 0.3565202
S 3
1 3.1964631 -0.1126487
2 0.7478133 -0.2295064
3 0.2199663 1.1869167
P 3
1 3.1964631 0.0559802
2 0.7478133 0.2615506
3 0.2199663 0.7939723
S 1
1 0.0823099 1.0000000
P 1
1 0.0823099 1.0000000
S 1
1 0.0207000 1.0000000
P 1
1 0.0207000 1.0000000
D 1
1 0.4000000 1.0000000
BORON
S 6
1 2068.8823000 0.0018663
2 310.6495700 0.0142515
3 70.6830330 0.0695516
4 19.8610800 0.2325729
5 6.2993048 0.4670787
6 2.1270270 0.3634314
S 3
1 4.7279710 -0.1303938
2 1.1903377 -0.1307889
3 0.3594117 1.1309444
P 3
1 4.7279710 0.0745976
2 1.1903377 0.3078467
3 0.3594117 0.7434568
S 1
1 0.1267512 1.0000000
P 1
1 0.1267512 1.0000000
S 1
1 0.0315000 1.0000000
P 1
1 0.0315000 1.0000000
D 1
1 0.6000000 1.0000000
CARBON
S 6
1 3047.5249000 0.0018347
2 457.3695100 0.0140373
3 103.9486900 0.0688426
4 29.2101550 0.2321844
5 9.2866630 0.4679413
6 3.1639270 0.3623120
S 3
1 7.8682724 -0.1193324
2 1.8812885 -0.1608542
3 0.5442493 1.1434564
P 3
1 7.8682724 0.0689991
2 1.8812885 0.3164240
3 0.5442493 0.7443083
S 1
1 0.1687144 1.0000000
P 1
1 0.1687144 1.0000000
S 1
1 0.0438000 1.0000000
P 1
1 0.0438000 1.0000000
D 1
1 0.8000000 1.0000000
NITROGEN
S 6
1 4173.5110000 0.0018348
2 627.4579000 0.0139950
3 142.9021000 0.0685870
4 40.2343300 0.2322410
5 12.8202100 0.4690700
6 4.3904370 0.3604550
S 3
1 11.6263580 -0.1149610
2 2.7162800 -0.1691180
3 0.7722180 1.1458520
P 3
1 11.6263580 0.0675800
2 2.7162800 0.3239070
3 0.7722180 0.7408950
S 1
1 0.2120313 1.0000000
P 1
1 0.2120313 1.0000000
S 1
1 0.0639000 1.0000000
P 1
1 0.0639000 1.0000000
D 1
1 0.8000000 1.0000000
OXYGEN
S 6
1 5484.6717000 0.0018311
2 825.2349500 0.0139501
3 188.0469600 0.0684451
4 52.9645000 0.2327143
5 16.8975700 0.4701930
6 5.7996353 0.3585209
S 3
1 15.5396160 -0.1107775
2 3.5999336 -0.1480263
3 1.0137618 1.1307670
P 3
1 15.5396160 0.0708743
2 3.5999336 0.3397528
3 1.0137618 0.7271586
S 1
1 0.2700058 1.0000000
P 1
1 0.2700058 1.0000000
S 1
1 0.0845000 1.0000000
P 1
1 0.0845000 1.0000000
D 1
1 0.8000000 1.0000000
FLUORINE
S 6
1 7001.7130900 0.0018196169
2 1051.3660900 0.0139160796
3 239.2856900 0.0684053245
4 67.3974453 0.233185760
5 21.5199573 0.471267439
6 7.40310130 0.356618546
S 3
1 20.8479528 -0.1085070
2 4.8083083 -0.1464517
3 1.3440699 1.1286886
P 3
1 20.8479528 0.0716287
2 4.8083083 0.3459121
3 1.3440699 0.7224700
S 1
1 0.3581514 1.0000000
P 1
1 0.3581514 1.0000000
S 1
1 0.1076000 1.0000000
P 1
1 0.1076000 1.0000000
D 1
1 0.8000000 1.0000000
NEON
S 6
1 8425.8515300 0.0018843481
2 1268.5194000 0.0143368994
3 289.6214140 0.0701096233
4 81.8590040 0.2373732660
5 26.2515079 0.4730071260
6 9.09472051 0.3484012410
S 3
1 26.5321310 -0.1071183
2 6.1017550 -0.1461638
3 1.6962715 1.1277735
P 3
1 26.5321310 0.0719096
2 6.1017550 0.3495134
3 1.6962715 0.7199405
S 1
1 0.4458187 1.0000000
P 1
1 0.4458187 1.0000000
S 1
1 0.1300000 1.0000000
P 1
1 0.1300000 1.0000000
D 1
1 0.8000000 1.0000000
SODIUM
S 6
1 9993.2000000 0.0019377
2 1499.8900000 0.0148070
3 341.9510000 0.0727060
4 94.6797000 0.2526290
5 29.7345000 0.4932420
6 10.0063000 0.3131690
S 6
1 150.9630000 -0.0035421
2 35.5878000 -0.0439590
3 11.1683000 -0.1097521
4 3.9020100 0.1873980
5 1.3817700 0.6466990
6 0.4663820 0.3060580
P 6
1 150.9630000 0.0050017
2 35.5878000 0.0355110
3 11.1683000 0.1428250
4 3.9020100 0.3386200
5 1.3817700 0.4515790
6 0.4663820 0.2732710
S 3
1 0.4979660 -0.2485030
2 0.0843530 -0.1317040
3 0.0666350 1.2335200
P 3
1 0.4979660 -0.0230230
2 0.0843530 0.9503590
3 0.0666350 0.0598580
S 1
1 0.0259544 1.0000000
P 1
1 0.0259544 1.0000000
S 1
1 0.0076000 1.0000000
P 1
1 0.0076000 1.0000000
D 1
1 0.1750000 1.0000000
MAGNESIUM
S 6
1 11722.8000000 0.0019778
2 1759.9300000 0.0151140
3 400.8460000 0.0739110
4 112.8070000 0.2491910
5 35.9997000 0.4879280
6 12.1828000 0.3196620
S 6
1 189.1800000 -0.0032372
2 45.2119000 -0.0410080
3 14.3563000 -0.1126000
4 5.1388600 0.1486330
5 1.9065200 0.6164970
6 0.7058870 0.3648290
P 6
1 189.1800000 0.0049281
2 45.2119000 0.0349890
3 14.3563000 0.1407250
4 5.1388600 0.3336420
5 1.9065200 0.4449400
6 0.7058870 0.2692540
S 3
1 0.9293400 -0.2122900
2 0.2690350 -0.1079850
3 0.1173790 1.1758400
P 3
1 0.9293400 -0.0224190
2 0.2690350 0.1922700
3 0.1173790 0.8461810
S 1
1 0.0421061 1.0000000
P 1
1 0.0421061 1.0000000
S 1
1 0.0146000 1.0000000
P 1
1 0.0146000 1.0000000
D 1
1 0.1750000 1.0000000
ALUMINUM
S 6
1 13983.1000000 0.00194267
2 2098.7500000 0.0148599
3 477.7050000 0.0728494
4 134.3600000 0.2468300
5 42.8709000 0.4872580
6 14.5189000 0.3234960
S 6
1 239.6680000 -0.0029262
2 57.4419000 -0.0374080
3 18.2859000 -0.1144870
4 6.5991400 0.1156350
5 2.4904900 0.6125950
6 0.9445400 0.3937990
P 6
1 239.6680000 0.0046029
2 57.4419000 0.0331990
3 18.2859000 0.1362820
4 6.5991400 0.3304760
5 2.4904900 0.4491460
6 0.9445400 0.2657040
S 3
1 1.2779000 -0.2276060
2 0.3975900 0.0014458
3 0.1600950 1.0927900
P 3
1 1.2779000 -0.0175130
2 0.3975900 0.2445330
3 0.1600950 0.8049340
S 1
1 0.0556577 1.0000000
P 1
1 0.0556577 1.0000000
S 1
1 0.0318000 1.0000000
P 1
1 0.0318000 1.0000000
D 1
1 0.3250000 1.0000000
SILICON
S 6
1 16115.9000000 0.00195948
2 2425.5800000 0.01492880
3 553.8670000 0.07284780
4 156.3400000 0.24613000
5 50.0683000 0.48591400
6 17.0178000 0.32500200
S 6
1 292.7180000 -0.0027809
2 69.8731000 -0.0357146
3 22.3363000 -0.1149850
4 8.1503900 0.0935634
5 3.1345800 0.6030170
6 1.2254300 0.4189590
P 6
1 292.7180000 0.0044383
2 69.8731000 0.0326679
3 22.3363000 0.1347210
4 8.1503900 0.3286780
5 3.1345800 0.4496400
6 1.2254300 0.2613720
S 3
1 1.7273800 -0.2446300
2 0.5729220 0.0043157
3 0.2221920 1.0981800
P 3
1 1.7273800 -0.0177951
2 0.5729220 0.2535390
3 0.2221920 0.8006690
S 1
1 0.0778369 1.0000000
P 1
1 0.0778369 1.0000000
S 1
1 0.0331000 1.0000000
P 1
1 0.0331000 1.0000000
D 1
1 0.4500000 1.0000000
PHOSPHORUS
S 6
1 19413.3000000 0.0018516
2 2909.4200000 0.0142062
3 661.3640000 0.0699995
4 185.7590000 0.2400790
5 59.1943000 0.4847620
6 20.0310000 0.3352000
S 6
1 339.4780000 -0.0027822
2 81.0101000 -0.0360499
3 25.8780000 -0.1166310
4 9.4522100 0.0968328
5 3.6656600 0.6144180
6 1.4674600 0.4037980
P 6
1 339.4780000 0.0045646
2 81.0101000 0.0336936
3 25.8780000 0.1397550
4 9.4522100 0.3393620
5 3.6656600 0.4509210
6 1.4674600 0.2385860
S 3
1 2.1562300 -0.2529230
2 0.7489970 0.0328517
3 0.2831450 1.0812500
P 3
1 2.1562300 -0.0177653
2 0.7489970 0.2740580
3 0.2831450 0.7854210
S 1
1 0.0998317 1.0000000
P 1
1 0.0998317 1.0000000
S 1
1 0.0348000 1.0000000
P 1
1 0.0348000 1.0000000
D 1
1 0.5500000 1.0000000
SULFUR
S 6
1 21917.1000000 0.0018690
2 3301.4900000 0.0142300
3 754.1460000 0.0696960
4 212.7110000 0.2384870
5 67.9896000 0.4833070
6 23.0515000 0.3380740
S 6
1 423.7350000 -0.0023767
2 100.7100000 -0.0316930
3 32.1599000 -0.1133170
4 11.8079000 0.0560900
5 4.6311000 0.5922550
6 1.8702500 0.4550060
P 6
1 423.7350000 0.0040610
2 100.7100000 0.0306810
3 32.1599000 0.1304520
4 11.8079000 0.3272050
5 4.6311000 0.4528510
6 1.8702500 0.2560420
S 3
1 2.6158400 -0.2503740
2 0.9221670 0.0669570
3 0.3412870 1.0545100
P 3
1 2.6158400 -0.0145110
2 0.9221670 0.3102630
3 0.3412870 0.7544830
S 1
1 0.1171670 1.0000000
P 1
1 0.1171670 1.0000000
S 1
1 0.0405000 1.0000000
P 1
1 0.0405000 1.0000000
D 1
1 0.6500000 1.0000000
CHLORINE
S 6
1 25180.1000000 0.0018330
2 3780.3500000 0.0140340
3 860.4740000 0.0690970
4 242.1450000 0.2374520
5 77.3349000 0.4830340
6 26.2470000 0.3398560
S 6
1 491.7650000 -0.0022974
2 116.9840000 -0.0307140
3 37.4153000 -0.1125280
4 13.7834000 0.0450160
5 5.4521500 0.5893530
6 2.2258800 0.4652060
P 6
1 491.7650000 0.0039894
2 116.9840000 0.0303180
3 37.4153000 0.1298800
4 13.7834000 0.3279510
5 5.4521500 0.4535270
6 2.2258800 0.2521540
S 3
1 3.1864900 -0.2518300
2 1.1442700 0.0615890
3 0.4203770 1.0601800
P 3
1 3.1864900 -0.0142990
2 1.1442700 0.3235720
3 0.4203770 0.7435070
S 1
1 0.1426570 1.0000000
P 1
1 0.1426570 1.0000000
S 1
1 0.0483000 1.0000000
P 1
1 0.0483000 1.0000000
D 1
1 0.7500000 1.0000000
ARGON
S 6
1 28348.3000000 0.00182526
2 4257.6200000 0.01396860
3 969.8570000 0.06870730
4 273.2630000 0.23620400
5 87.3695000 0.48221400
6 29.6867000 0.34204300
S 6
1 575.8910000 -0.0021597
2 136.8160000 -0.0290775
3 43.8098000 -0.1108270
4 16.2094000 0.0276999
5 6.4608400 0.5776130
6 2.6511400 0.4886880
P 6
1 575.8910000 0.0038066
2 136.8160000 0.0292305
3 43.8098000 0.1264670
4 16.2094000 0.3235100
5 6.4608400 0.4548960
6 2.6511400 0.2566300
S 3
1 3.8602800 -0.2555920
2 1.4137300 0.0378066
3 0.5166460 1.0805600
P 3
1 3.8602800 -0.0159197
2 1.4137300 0.3246460
3 0.5166460 0.7439900
S 1
1 0.1738880 1.0000000
P 1
1 0.1738880 1.0000000
S 1
1 0.0600000 1.0000000
P 1
1 0.0600000 1.0000000
D 1
1 0.8500000 1.0000000
POTASSIUM
S 6
1 31594.4200000 1.828010E-03
2 4744.3300000 1.399403E-02
3 1080.4190000 6.887129E-02
4 304.2338000 2.369760E-01
5 97.2458600 4.829040E-01
6 33.0249500 3.404795E-01
S 6
1 622.7625000 -0.0025030
2 147.8839000 -0.0331555
3 47.3273500 -0.1226387
4 17.5149500 0.0535364
5 6.9227220 0.6193860
6 2.7682770 0.4345878
P 6
1 622.7625000 0.0040946
2 147.8839000 0.0314520
3 47.3273500 0.1351558
4 17.5149500 0.3390500
5 6.9227220 0.4629455
6 2.7682770 0.2242638
S 6
1 11.8480200 0.0127769
2 4.0792110 0.2098767
3 1.7634810 -0.0030953
4 0.7889270 -0.5593884
5 0.3503870 -0.5134760
6 0.1463440 -0.0659803
P 6
1 11.8480200 -0.0122138
2 4.0792110 -0.0069005
3 1.7634810 0.2007466
4 0.7889270 0.4281332
5 0.3503870 0.3970156
6 0.1463440 0.1104718
S 3
1 0.7168010 -0.0523777
2 0.2337410 -0.2798503
3 0.0386750 1.1415470
P 3
1 0.7168010 0.0316430
2 0.2337410 -0.0404616
3 0.0386750 1.0120290
S 1
1 0.0165210 1.0000000
P 1
1 0.0165210 1.0000000
S 1
1 0.0047000 1.0000000
P 1
1 0.0047000 1.0000000
D 1
1 0.2000000 1.0000000
CALCIUM
S 6
1 35264.8600000 1.813501E-03
2 5295.5030000 1.388493E-02
3 1206.0200000 6.836162E-02
4 339.6839000 2.356188E-01
5 108.6264000 4.820639E-01
6 36.9210300 3.429819E-01
S 6
1 706.3096000 0.0024482
2 167.8187000 0.0324150
3 53.8255800 0.1226219
4 20.0163800 -0.0431696
5 7.9702790 -0.6126995
6 3.2120590 -0.4487540
P 6
1 706.3096000 0.0040204
2 167.8187000 0.0310060
3 53.8255800 0.1337279
4 20.0163800 0.3367983
5 7.9702790 0.4631281
6 3.2120590 0.2257532
S 6
1 14.1951800 0.0108450
2 4.8808280 0.2088333
3 2.1603900 0.0315034
4 0.9878990 -0.5526518
5 0.4495170 -0.5437997
6 0.1873870 -0.0666934
P 6
1 14.1951800 -0.0128962
2 4.8808280 -0.0102520
3 2.1603900 0.1959781
4 0.9878990 0.4357933
5 0.4495170 0.3996452
6 0.1873870 0.0971364
S 3
1 1.0322710 -0.0443972
2 0.3811710 -0.3284563
3 0.0651310 1.1630100
P 3
1 1.0322710 -0.4298621
2 0.3811710 0.0069358
3 0.0651310 0.9705933
S 1
1 0.0260100 1.0000000
P 1
1 0.0260100 1.0000000
S 1
1 0.0071000 1.0000000
P 1
1 0.0071000 1.0000000
D 1
1 0.2000000 1.0000000

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HYDROGEN
S 3
1 0.1873113696E+02 0.3349460434E-01
2 0.2825394365E+01 0.2347269535E+00
3 0.6401216923E+00 0.8137573261E+00
S 1
1 0.1612777588E+00 1.0000000
S 1
1 0.3600000000E-01 0.1000000000E+01
P 1
1 0.1100000000E+01 1.0000000
HELIUM
S 3
1 0.3842163400E+02 0.4013973935E-01
2 0.5778030000E+01 0.2612460970E+00
3 0.1241774000E+01 0.7931846246E+00
S 1
1 0.2979640000E+00 1.0000000
S 1
1 0.8600000000E-01 0.1000000000E+01
P 1
1 0.1100000000E+01 1.0000000
LITHIUM
S 6
1 642.4189200 0.0021426
2 96.7985150 0.0162089
3 22.0911210 0.0773156
4 6.2010703 0.2457860
5 1.9351177 0.4701890
6 0.6367358 0.3454708
S 3
1 2.3249184 -0.0350917
2 0.6324306 -0.1912328
3 0.0790534 1.0839878
P 3
1 2.3249184 0.0089415
2 0.6324306 0.1410095
3 0.0790534 0.9453637
S 1
1 0.0359620 1.0000000
P 1
1 0.0359620 1.0000000
S 1
1 0.0074000 1.0000000
P 1
1 0.0074000 1.0000000
D 1
1 0.2000000 1.0000000
BERYLLIUM
S 6
1 1264.5857000 0.0019448
2 189.9368100 0.0148351
3 43.1590890 0.0720906
4 12.0986630 0.2371542
5 3.8063232 0.4691987
6 1.2728903 0.3565202
S 3
1 3.1964631 -0.1126487
2 0.7478133 -0.2295064
3 0.2199663 1.1869167
P 3
1 3.1964631 0.0559802
2 0.7478133 0.2615506
3 0.2199663 0.7939723
S 1
1 0.0823099 1.0000000
P 1
1 0.0823099 1.0000000
S 1
1 0.0207000 1.0000000
P 1
1 0.0207000 1.0000000
D 1
1 0.4000000 1.0000000
BORON
S 6
1 2068.8823000 0.0018663
2 310.6495700 0.0142515
3 70.6830330 0.0695516
4 19.8610800 0.2325729
5 6.2993048 0.4670787
6 2.1270270 0.3634314
S 3
1 4.7279710 -0.1303938
2 1.1903377 -0.1307889
3 0.3594117 1.1309444
P 3
1 4.7279710 0.0745976
2 1.1903377 0.3078467
3 0.3594117 0.7434568
S 1
1 0.1267512 1.0000000
P 1
1 0.1267512 1.0000000
S 1
1 0.0315000 1.0000000
P 1
1 0.0315000 1.0000000
D 1
1 0.6000000 1.0000000
CARBON
S 6
1 3047.5249000 0.0018347
2 457.3695100 0.0140373
3 103.9486900 0.0688426
4 29.2101550 0.2321844
5 9.2866630 0.4679413
6 3.1639270 0.3623120
S 3
1 7.8682724 -0.1193324
2 1.8812885 -0.1608542
3 0.5442493 1.1434564
P 3
1 7.8682724 0.0689991
2 1.8812885 0.3164240
3 0.5442493 0.7443083
S 1
1 0.1687144 1.0000000
P 1
1 0.1687144 1.0000000
S 1
1 0.0438000 1.0000000
P 1
1 0.0438000 1.0000000
D 1
1 0.8000000 1.0000000
NITROGEN
S 6
1 4173.5110000 0.0018348
2 627.4579000 0.0139950
3 142.9021000 0.0685870
4 40.2343300 0.2322410
5 12.8202100 0.4690700
6 4.3904370 0.3604550
S 3
1 11.6263580 -0.1149610
2 2.7162800 -0.1691180
3 0.7722180 1.1458520
P 3
1 11.6263580 0.0675800
2 2.7162800 0.3239070
3 0.7722180 0.7408950
S 1
1 0.2120313 1.0000000
P 1
1 0.2120313 1.0000000
S 1
1 0.0639000 1.0000000
P 1
1 0.0639000 1.0000000
D 1
1 0.8000000 1.0000000
OXYGEN
S 6
1 5484.6717000 0.0018311
2 825.2349500 0.0139501
3 188.0469600 0.0684451
4 52.9645000 0.2327143
5 16.8975700 0.4701930
6 5.7996353 0.3585209
S 3
1 15.5396160 -0.1107775
2 3.5999336 -0.1480263
3 1.0137618 1.1307670
P 3
1 15.5396160 0.0708743
2 3.5999336 0.3397528
3 1.0137618 0.7271586
S 1
1 0.2700058 1.0000000
P 1
1 0.2700058 1.0000000
S 1
1 0.0845000 1.0000000
P 1
1 0.0845000 1.0000000
D 1
1 0.8000000 1.0000000
FLUORINE
S 6
1 7001.7130900 0.0018196169
2 1051.3660900 0.0139160796
3 239.2856900 0.0684053245
4 67.3974453 0.233185760
5 21.5199573 0.471267439
6 7.40310130 0.356618546
S 3
1 20.8479528 -0.1085070
2 4.8083083 -0.1464517
3 1.3440699 1.1286886
P 3
1 20.8479528 0.0716287
2 4.8083083 0.3459121
3 1.3440699 0.7224700
S 1
1 0.3581514 1.0000000
P 1
1 0.3581514 1.0000000
S 1
1 0.1076000 1.0000000
P 1
1 0.1076000 1.0000000
D 1
1 0.8000000 1.0000000
NEON
S 6
1 8425.8515300 0.0018843481
2 1268.5194000 0.0143368994
3 289.6214140 0.0701096233
4 81.8590040 0.2373732660
5 26.2515079 0.4730071260
6 9.09472051 0.3484012410
S 3
1 26.5321310 -0.1071183
2 6.1017550 -0.1461638
3 1.6962715 1.1277735
P 3
1 26.5321310 0.0719096
2 6.1017550 0.3495134
3 1.6962715 0.7199405
S 1
1 0.4458187 1.0000000
P 1
1 0.4458187 1.0000000
S 1
1 0.1300000 1.0000000
P 1
1 0.1300000 1.0000000
D 1
1 0.8000000 1.0000000
SODIUM
S 6
1 9993.2000000 0.0019377
2 1499.8900000 0.0148070
3 341.9510000 0.0727060
4 94.6797000 0.2526290
5 29.7345000 0.4932420
6 10.0063000 0.3131690
S 6
1 150.9630000 -0.0035421
2 35.5878000 -0.0439590
3 11.1683000 -0.1097521
4 3.9020100 0.1873980
5 1.3817700 0.6466990
6 0.4663820 0.3060580
P 6
1 150.9630000 0.0050017
2 35.5878000 0.0355110
3 11.1683000 0.1428250
4 3.9020100 0.3386200
5 1.3817700 0.4515790
6 0.4663820 0.2732710
S 3
1 0.4979660 -0.2485030
2 0.0843530 -0.1317040
3 0.0666350 1.2335200
P 3
1 0.4979660 -0.0230230
2 0.0843530 0.9503590
3 0.0666350 0.0598580
S 1
1 0.0259544 1.0000000
P 1
1 0.0259544 1.0000000
S 1
1 0.0076000 1.0000000
P 1
1 0.0076000 1.0000000
D 1
1 0.1750000 1.0000000
MAGNESIUM
S 6
1 11722.8000000 0.0019778
2 1759.9300000 0.0151140
3 400.8460000 0.0739110
4 112.8070000 0.2491910
5 35.9997000 0.4879280
6 12.1828000 0.3196620
S 6
1 189.1800000 -0.0032372
2 45.2119000 -0.0410080
3 14.3563000 -0.1126000
4 5.1388600 0.1486330
5 1.9065200 0.6164970
6 0.7058870 0.3648290
P 6
1 189.1800000 0.0049281
2 45.2119000 0.0349890
3 14.3563000 0.1407250
4 5.1388600 0.3336420
5 1.9065200 0.4449400
6 0.7058870 0.2692540
S 3
1 0.9293400 -0.2122900
2 0.2690350 -0.1079850
3 0.1173790 1.1758400
P 3
1 0.9293400 -0.0224190
2 0.2690350 0.1922700
3 0.1173790 0.8461810
S 1
1 0.0421061 1.0000000
P 1
1 0.0421061 1.0000000
S 1
1 0.0146000 1.0000000
P 1
1 0.0146000 1.0000000
D 1
1 0.1750000 1.0000000
ALUMINUM
S 6
1 13983.1000000 0.00194267
2 2098.7500000 0.0148599
3 477.7050000 0.0728494
4 134.3600000 0.2468300
5 42.8709000 0.4872580
6 14.5189000 0.3234960
S 6
1 239.6680000 -0.0029262
2 57.4419000 -0.0374080
3 18.2859000 -0.1144870
4 6.5991400 0.1156350
5 2.4904900 0.6125950
6 0.9445400 0.3937990
P 6
1 239.6680000 0.0046029
2 57.4419000 0.0331990
3 18.2859000 0.1362820
4 6.5991400 0.3304760
5 2.4904900 0.4491460
6 0.9445400 0.2657040
S 3
1 1.2779000 -0.2276060
2 0.3975900 0.0014458
3 0.1600950 1.0927900
P 3
1 1.2779000 -0.0175130
2 0.3975900 0.2445330
3 0.1600950 0.8049340
S 1
1 0.0556577 1.0000000
P 1
1 0.0556577 1.0000000
S 1
1 0.0318000 1.0000000
P 1
1 0.0318000 1.0000000
D 1
1 0.3250000 1.0000000
SILICON
S 6
1 16115.9000000 0.00195948
2 2425.5800000 0.01492880
3 553.8670000 0.07284780
4 156.3400000 0.24613000
5 50.0683000 0.48591400
6 17.0178000 0.32500200
S 6
1 292.7180000 -0.0027809
2 69.8731000 -0.0357146
3 22.3363000 -0.1149850
4 8.1503900 0.0935634
5 3.1345800 0.6030170
6 1.2254300 0.4189590
P 6
1 292.7180000 0.0044383
2 69.8731000 0.0326679
3 22.3363000 0.1347210
4 8.1503900 0.3286780
5 3.1345800 0.4496400
6 1.2254300 0.2613720
S 3
1 1.7273800 -0.2446300
2 0.5729220 0.0043157
3 0.2221920 1.0981800
P 3
1 1.7273800 -0.0177951
2 0.5729220 0.2535390
3 0.2221920 0.8006690
S 1
1 0.0778369 1.0000000
P 1
1 0.0778369 1.0000000
S 1
1 0.0331000 1.0000000
P 1
1 0.0331000 1.0000000
D 1
1 0.4500000 1.0000000
PHOSPHORUS
S 6
1 19413.3000000 0.0018516
2 2909.4200000 0.0142062
3 661.3640000 0.0699995
4 185.7590000 0.2400790
5 59.1943000 0.4847620
6 20.0310000 0.3352000
S 6
1 339.4780000 -0.0027822
2 81.0101000 -0.0360499
3 25.8780000 -0.1166310
4 9.4522100 0.0968328
5 3.6656600 0.6144180
6 1.4674600 0.4037980
P 6
1 339.4780000 0.0045646
2 81.0101000 0.0336936
3 25.8780000 0.1397550
4 9.4522100 0.3393620
5 3.6656600 0.4509210
6 1.4674600 0.2385860
S 3
1 2.1562300 -0.2529230
2 0.7489970 0.0328517
3 0.2831450 1.0812500
P 3
1 2.1562300 -0.0177653
2 0.7489970 0.2740580
3 0.2831450 0.7854210
S 1
1 0.0998317 1.0000000
P 1
1 0.0998317 1.0000000
S 1
1 0.0348000 1.0000000
P 1
1 0.0348000 1.0000000
D 1
1 0.5500000 1.0000000
SULFUR
S 6
1 21917.1000000 0.0018690
2 3301.4900000 0.0142300
3 754.1460000 0.0696960
4 212.7110000 0.2384870
5 67.9896000 0.4833070
6 23.0515000 0.3380740
S 6
1 423.7350000 -0.0023767
2 100.7100000 -0.0316930
3 32.1599000 -0.1133170
4 11.8079000 0.0560900
5 4.6311000 0.5922550
6 1.8702500 0.4550060
P 6
1 423.7350000 0.0040610
2 100.7100000 0.0306810
3 32.1599000 0.1304520
4 11.8079000 0.3272050
5 4.6311000 0.4528510
6 1.8702500 0.2560420
S 3
1 2.6158400 -0.2503740
2 0.9221670 0.0669570
3 0.3412870 1.0545100
P 3
1 2.6158400 -0.0145110
2 0.9221670 0.3102630
3 0.3412870 0.7544830
S 1
1 0.1171670 1.0000000
P 1
1 0.1171670 1.0000000
S 1
1 0.0405000 1.0000000
P 1
1 0.0405000 1.0000000
D 1
1 0.6500000 1.0000000
CHLORINE
S 6
1 25180.1000000 0.0018330
2 3780.3500000 0.0140340
3 860.4740000 0.0690970
4 242.1450000 0.2374520
5 77.3349000 0.4830340
6 26.2470000 0.3398560
S 6
1 491.7650000 -0.0022974
2 116.9840000 -0.0307140
3 37.4153000 -0.1125280
4 13.7834000 0.0450160
5 5.4521500 0.5893530
6 2.2258800 0.4652060
P 6
1 491.7650000 0.0039894
2 116.9840000 0.0303180
3 37.4153000 0.1298800
4 13.7834000 0.3279510
5 5.4521500 0.4535270
6 2.2258800 0.2521540
S 3
1 3.1864900 -0.2518300
2 1.1442700 0.0615890
3 0.4203770 1.0601800
P 3
1 3.1864900 -0.0142990
2 1.1442700 0.3235720
3 0.4203770 0.7435070
S 1
1 0.1426570 1.0000000
P 1
1 0.1426570 1.0000000
S 1
1 0.0483000 1.0000000
P 1
1 0.0483000 1.0000000
D 1
1 0.7500000 1.0000000
ARGON
S 6
1 28348.3000000 0.00182526
2 4257.6200000 0.01396860
3 969.8570000 0.06870730
4 273.2630000 0.23620400
5 87.3695000 0.48221400
6 29.6867000 0.34204300
S 6
1 575.8910000 -0.0021597
2 136.8160000 -0.0290775
3 43.8098000 -0.1108270
4 16.2094000 0.0276999
5 6.4608400 0.5776130
6 2.6511400 0.4886880
P 6
1 575.8910000 0.0038066
2 136.8160000 0.0292305
3 43.8098000 0.1264670
4 16.2094000 0.3235100
5 6.4608400 0.4548960
6 2.6511400 0.2566300
S 3
1 3.8602800 -0.2555920
2 1.4137300 0.0378066
3 0.5166460 1.0805600
P 3
1 3.8602800 -0.0159197
2 1.4137300 0.3246460
3 0.5166460 0.7439900
S 1
1 0.1738880 1.0000000
P 1
1 0.1738880 1.0000000
S 1
1 0.0600000 1.0000000
P 1
1 0.0600000 1.0000000
D 1
1 0.8500000 1.0000000
POTASSIUM
S 6
1 31594.4200000 1.828010E-03
2 4744.3300000 1.399403E-02
3 1080.4190000 6.887129E-02
4 304.2338000 2.369760E-01
5 97.2458600 4.829040E-01
6 33.0249500 3.404795E-01
S 6
1 622.7625000 -0.0025030
2 147.8839000 -0.0331555
3 47.3273500 -0.1226387
4 17.5149500 0.0535364
5 6.9227220 0.6193860
6 2.7682770 0.4345878
P 6
1 622.7625000 0.0040946
2 147.8839000 0.0314520
3 47.3273500 0.1351558
4 17.5149500 0.3390500
5 6.9227220 0.4629455
6 2.7682770 0.2242638
S 6
1 11.8480200 0.0127769
2 4.0792110 0.2098767
3 1.7634810 -0.0030953
4 0.7889270 -0.5593884
5 0.3503870 -0.5134760
6 0.1463440 -0.0659803
P 6
1 11.8480200 -0.0122138
2 4.0792110 -0.0069005
3 1.7634810 0.2007466
4 0.7889270 0.4281332
5 0.3503870 0.3970156
6 0.1463440 0.1104718
S 3
1 0.7168010 -0.0523777
2 0.2337410 -0.2798503
3 0.0386750 1.1415470
P 3
1 0.7168010 0.0316430
2 0.2337410 -0.0404616
3 0.0386750 1.0120290
S 1
1 0.0165210 1.0000000
P 1
1 0.0165210 1.0000000
S 1
1 0.0047000 1.0000000
P 1
1 0.0047000 1.0000000
D 1
1 0.2000000 1.0000000
CALCIUM
S 6
1 35264.8600000 1.813501E-03
2 5295.5030000 1.388493E-02
3 1206.0200000 6.836162E-02
4 339.6839000 2.356188E-01
5 108.6264000 4.820639E-01
6 36.9210300 3.429819E-01
S 6
1 706.3096000 0.0024482
2 167.8187000 0.0324150
3 53.8255800 0.1226219
4 20.0163800 -0.0431696
5 7.9702790 -0.6126995
6 3.2120590 -0.4487540
P 6
1 706.3096000 0.0040204
2 167.8187000 0.0310060
3 53.8255800 0.1337279
4 20.0163800 0.3367983
5 7.9702790 0.4631281
6 3.2120590 0.2257532
S 6
1 14.1951800 0.0108450
2 4.8808280 0.2088333
3 2.1603900 0.0315034
4 0.9878990 -0.5526518
5 0.4495170 -0.5437997
6 0.1873870 -0.0666934
P 6
1 14.1951800 -0.0128962
2 4.8808280 -0.0102520
3 2.1603900 0.1959781
4 0.9878990 0.4357933
5 0.4495170 0.3996452
6 0.1873870 0.0971364
S 3
1 1.0322710 -0.0443972
2 0.3811710 -0.3284563
3 0.0651310 1.1630100
P 3
1 1.0322710 -0.4298621
2 0.3811710 0.0069358
3 0.0651310 0.9705933
S 1
1 0.0260100 1.0000000
P 1
1 0.0260100 1.0000000
S 1
1 0.0071000 1.0000000
P 1
1 0.0071000 1.0000000
D 1
1 0.2000000 1.0000000

633
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@ -0,0 +1,633 @@
HYDROGEN
S 3
1 18.7311370 0.03349460
2 2.8253937 0.23472695
3 0.6401217 0.81375733
S 1
1 0.1612778 1.0000000
HELIUM
S 3
1 38.4216340 0.0237660
2 5.7780300 0.1546790
3 1.2417740 0.4696300
S 1
1 0.2979640 1.0000000
LITHIUM
S 6
1 642.4189200 0.0021426
2 96.7985150 0.0162089
3 22.0911210 0.0773156
4 6.2010703 0.2457860
5 1.9351177 0.4701890
6 0.6367358 0.3454708
S 3
1 2.3249184 -0.0350917
2 0.6324306 -0.1912328
3 0.0790534 1.0839878
P 3
1 2.3249184 0.0089415
2 0.6324306 0.1410095
3 0.0790534 0.9453637
S 1
1 0.0359620 1.0000000
P 1
1 0.0359620 1.0000000
S 1
1 0.0074000 1.0000000
P 1
1 0.0074000 1.0000000
BERYLLIUM
S 6
1 1264.5857000 0.0019448
2 189.9368100 0.0148351
3 43.1590890 0.0720906
4 12.0986630 0.2371542
5 3.8063232 0.4691987
6 1.2728903 0.3565202
S 3
1 3.1964631 -0.1126487
2 0.7478133 -0.2295064
3 0.2199663 1.1869167
P 3
1 3.1964631 0.0559802
2 0.7478133 0.2615506
3 0.2199663 0.7939723
S 1
1 0.0823099 1.0000000
P 1
1 0.0823099 1.0000000
S 1
1 0.0207000 1.0000000
P 1
1 0.0207000 1.0000000
BORON
S 6
1 2068.8823000 0.0018663
2 310.6495700 0.0142515
3 70.6830330 0.0695516
4 19.8610800 0.2325729
5 6.2993048 0.4670787
6 2.1270270 0.3634314
S 3
1 4.7279710 -0.1303938
2 1.1903377 -0.1307889
3 0.3594117 1.1309444
P 3
1 4.7279710 0.0745976
2 1.1903377 0.3078467
3 0.3594117 0.7434568
S 1
1 0.1267512 1.0000000
P 1
1 0.1267512 1.0000000
S 1
1 0.0315000 1.0000000
P 1
1 0.0315000 1.0000000
CARBON
S 6
1 3047.5249000 0.0018347
2 457.3695100 0.0140373
3 103.9486900 0.0688426
4 29.2101550 0.2321844
5 9.2866630 0.4679413
6 3.1639270 0.3623120
S 3
1 7.8682724 -0.1193324
2 1.8812885 -0.1608542
3 0.5442493 1.1434564
P 3
1 7.8682724 0.0689991
2 1.8812885 0.3164240
3 0.5442493 0.7443083
S 1
1 0.1687144 1.0000000
P 1
1 0.1687144 1.0000000
S 1
1 0.0438000 1.0000000
P 1
1 0.0438000 1.0000000
NITROGEN
S 6
1 4173.5110000 0.0018348
2 627.4579000 0.0139950
3 142.9021000 0.0685870
4 40.2343300 0.2322410
5 12.8202100 0.4690700
6 4.3904370 0.3604550
S 3
1 11.6263580 -0.1149610
2 2.7162800 -0.1691180
3 0.7722180 1.1458520
P 3
1 11.6263580 0.0675800
2 2.7162800 0.3239070
3 0.7722180 0.7408950
S 1
1 0.2120313 1.0000000
P 1
1 0.2120313 1.0000000
S 1
1 0.0639000 1.0000000
P 1
1 0.0639000 1.0000000
OXYGEN
S 6
1 5484.6717000 0.0018311
2 825.2349500 0.0139501
3 188.0469600 0.0684451
4 52.9645000 0.2327143
5 16.8975700 0.4701930
6 5.7996353 0.3585209
S 3
1 15.5396160 -0.1107775
2 3.5999336 -0.1480263
3 1.0137618 1.1307670
P 3
1 15.5396160 0.0708743
2 3.5999336 0.3397528
3 1.0137618 0.7271586
S 1
1 0.2700058 1.0000000
P 1
1 0.2700058 1.0000000
S 1
1 0.0845000 1.0000000
P 1
1 0.0845000 1.0000000
FLUORINE
S 6
1 7001.7130900 0.0018196169
2 1051.3660900 0.0139160796
3 239.2856900 0.0684053245
4 67.3974453 0.233185760
5 21.5199573 0.471267439
6 7.40310130 0.356618546
S 3
1 20.8479528 -0.108506975
2 4.80830834 -0.146451658
3 1.34406986 1.128688580
P 3
1 20.8479528 0.0716287243
2 4.80830834 0.3459121030
3 1.34406986 0.7224699570
S 1
1 0.358151393 1.0000000
P 1
1 0.358151393 1.0000000
S 1
1 0.1076000 1.0000000
P 1
1 0.1076000 1.0000000
NEON
S 6
1 8425.8515300 0.0018843481
2 1268.5194000 0.0143368994
3 289.6214140 0.0701096233
4 81.8590040 0.2373732660
5 26.2515079 0.4730071260
6 9.09472051 0.3484012410
S 3
1 26.5321310 -0.107118287
2 6.10175501 -0.146163821
3 1.69627153 1.127773500
P 3
1 26.5321310 0.0719095885
2 6.10175501 0.3495133720
3 1.69627153 0.7199405120
S 1
1 0.44581870 1.0000000
P 1
1 0.44581870 1.0000000
S 1
1 0.1300000 1.0000000
P 1
1 0.1300000 1.0000000
SODIUM
S 6
1 9993.2000000 0.0019377
2 1499.8900000 0.0148070
3 341.9510000 0.0727060
4 94.6797000 0.2526290
5 29.7345000 0.4932420
6 10.0063000 0.3131690
S 6
1 150.9630000 -0.0035421
2 35.5878000 -0.0439590
3 11.1683000 -0.1097521
4 3.9020100 0.1873980
5 1.3817700 0.6466990
6 0.4663820 0.3060580
P 6
1 150.9630000 0.0050017
2 35.5878000 0.0355110
3 11.1683000 0.1428250
4 3.9020100 0.3386200
5 1.3817700 0.4515790
6 0.4663820 0.2732710
S 3
1 0.4979660 -0.2485030
2 0.0843530 -0.1317040
3 0.0666350 1.2335200
P 3
1 0.4979660 -0.0230230
2 0.0843530 0.9503590
3 0.0666350 0.0598580
S 1
1 0.0259544 1.0000000
P 1
1 0.0259544 1.0000000
S 1
1 0.0076000 1.0000000
P 1
1 0.0076000 1.0000000
MAGNESIUM
S 6
1 11722.8000000 0.0019778
2 1759.9300000 0.0151140
3 400.8460000 0.0739110
4 112.8070000 0.2491910
5 35.9997000 0.4879280
6 12.1828000 0.3196620
S 6
1 189.1800000 -0.0032372
2 45.2119000 -0.0410080
3 14.3563000 -0.1126000
P 6
1 189.1800000 0.0049281
2 45.2119000 0.0349890
3 14.3563000 0.1407250
4 5.1388600 0.1486330 0.3336420
5 1.9065200 0.6164970 0.4449400
6 0.7058870 0.3648290 0.2692540
S 3
1 0.9293400 -0.2122900
2 0.2690350 -0.1079850
3 0.1173790 1.1758400
P 3
1 0.9293400 -0.0224190
2 0.2690350 0.1922700
3 0.1173790 0.8461810
S 1
1 0.0421061 1.0000000
P 1
1 0.0421061 1.0000000
S 1
1 0.0146000 1.0000000
P 1
1 0.0146000 1.0000000
ALUMINUM
S 6
1 13983.1000000 0.00194267
2 2098.7500000 0.0148599
3 477.7050000 0.0728494
4 134.3600000 0.2468300
5 42.8709000 0.4872580
6 14.5189000 0.3234960
S 6
1 239.6680000 -0.00292619
2 57.4419000 -0.0374080
3 18.2859000 -0.1144870
4 6.5991400 0.1156350
5 2.4904900 0.6125950
6 0.9445400 0.3937990
P 6
1 239.6680000 0.00460285
2 57.4419000 0.0331990
3 18.2859000 0.1362820
4 6.5991400 0.3304760
5 2.4904900 0.4491460
6 0.9445400 0.2657040
S 3
1 1.2779000 -0.2276060
2 0.3975900 0.00144583
3 0.1600950 1.0927900
P 3
1 1.2779000 -0.0175130
2 0.3975900 0.2445330
3 0.1600950 0.8049340
S 1
1 0.0556577 1.0000000
P 1
1 0.0556577 1.0000000
S 1
1 0.0318000 1.0000000
P 1
1 0.0318000 1.0000000
SILICON
S 6
1 16115.9000000 0.00195948
2 2425.5800000 0.01492880
3 553.8670000 0.07284780
4 156.3400000 0.24613000
5 50.0683000 0.48591400
6 17.0178000 0.32500200
S 6
1 292.7180000 -0.00278094
2 69.8731000 -0.03571460
3 22.3363000 -0.11498500
4 8.1503900 0.09356340
5 3.1345800 0.60301700
6 1.2254300 0.41895900
P 6
1 292.7180000 0.00443826
2 69.8731000 0.03266790
3 22.3363000 0.13472100
4 8.1503900 0.32867800
5 3.1345800 0.44964000
6 1.2254300 0.26137200
S 3
1 1.7273800 -0.24463000
2 0.5729220 0.00431572
3 0.2221920 1.09818000
P 3
1 1.7273800 -0.01779510
2 0.5729220 0.25353900
3 0.2221920 0.80066900
S 1
1 0.0778369 1.00000000
P 1
1 0.0778369 1.00000000
S 1
1 0.0331000 1.0000000
P 1
1 0.0331000 1.0000000
PHOSPHOROUS
S 6
1 19413.3000000 0.0018516
2 2909.4200000 0.0142062
3 661.3640000 0.0699995
4 185.7590000 0.2400790
5 59.1943000 0.4847620
6 20.0310000 0.3352000
S 6
1 339.4780000 -0.00278217
2 81.0101000 -0.0360499
3 25.8780000 -0.1166310
4 9.4522100 0.0968328
5 3.6656600 0.6144180
6 1.4674600 0.4037980
P 6
1 339.4780000 0.00456462
2 81.0101000 0.03369360
3 25.8780000 0.13975500
4 9.4522100 0.33936200
5 3.6656600 0.45092100
6 1.4674600 0.23858600
S 3
1 2.1562300 -0.2529230
2 0.7489970 0.0328517
3 0.2831450 1.0812500
P 3
1 2.1562300 -0.01776530
2 0.7489970 0.27405800
3 0.2831450 0.78542100
S 1
1 0.0998317 1.0000000
P 1
1 0.0998317 1.0000000
S 1
1 0.0348000 1.0000000
P 1
1 0.0348000 1.0000000
SULFUR
S 6
1 21917.1000000 0.0018690
2 3301.4900000 0.0142300
3 754.1460000 0.0696960
4 212.7110000 0.2384870
5 67.9896000 0.4833070
6 23.0515000 0.3380740
S 6
1 423.7350000 -0.0023767
2 100.7100000 -0.0316930
3 32.1599000 -0.1133170
4 11.8079000 0.0560900
5 4.6311000 0.5922550
6 1.8702500 0.4550060
P 6
1 423.7350000 0.0040610
2 100.7100000 0.0306810
3 32.1599000 0.1304520
4 11.8079000 0.3272050
5 4.6311000 0.4528510
6 1.8702500 0.2560420
S 3
1 2.6158400 -0.2503740
2 0.9221670 0.0669570
3 0.3412870 1.0545100
P 3
1 2.6158400 -0.0145110
2 0.9221670 0.3102630
3 0.3412870 0.7544830
S 1
1 0.1171670 1.0000000
P 1
1 0.1171670 1.0000000
S 1
1 0.0405000 1.0000000
P 1
1 0.0405000 1.0000000
CHLORINE
S 6
1 25180.1000000 0.0018330
2 3780.3500000 0.0140340
3 860.4740000 0.0690970
4 242.1450000 0.2374520
5 77.3349000 0.4830340
6 26.2470000 0.3398560
S 6
1 491.7650000 -0.0022974
2 116.9840000 -0.0307140
3 37.4153000 -0.1125280
4 13.7834000 0.0450160
5 5.4521500 0.5893530
6 2.2258800 0.4652060
P 6
1 491.7650000 0.0039894
2 116.9840000 0.0303180
3 37.4153000 0.1298800
4 13.7834000 0.3279510
5 5.4521500 0.4535270
6 2.2258800 0.2521540
S 3
1 3.1864900 -0.2518300
2 1.1442700 0.0615890
3 0.4203770 1.0601800
P 3
1 3.1864900 -0.0142990
2 1.1442700 0.3235720
3 0.4203770 0.7435070
S 1
1 0.1426570 1.0000000
P 1
1 0.1426570 1.0000000
S 1
1 0.0483000 1.0000000
P 1
1 0.0483000 1.0000000
ARGON
S 6
1 28348.3000000 0.00182526
2 4257.6200000 0.01396860
3 969.8570000 0.06870730
4 273.2630000 0.23620400
5 87.3695000 0.48221400
6 29.6867000 0.34204300
S 6
1 575.8910000 -0.00215972
2 136.8160000 -0.02907750
3 43.8098000 -0.11082700
4 16.2094000 0.02769990
5 6.4608400 0.57761300
6 2.6511400 0.48868800
P 6
1 575.8910000 0.00380665
2 136.8160000 0.02923050
3 43.8098000 0.12646700
4 16.2094000 0.32351000
5 6.4608400 0.45489600
6 2.6511400 0.25663000
S 3
1 3.8602800 -0.2555920
2 1.4137300 0.0378066
3 0.5166460 1.0805600
P 3
1 3.8602800 -0.01591970
2 1.4137300 0.32464600
3 0.5166460 0.74399000
S 1
1 0.1738880 1.0000000
P 1
1 0.1738880 1.0000000
S 1
1 0.0600000 1.0000000
P 1
1 0.0600000 1.0000000
POTASSIUM
S 6
1 31594.4200000 1.828010E-03
2 4744.3300000 1.399403E-02
3 1080.4190000 6.887129E-02
4 304.2338000 2.369760E-01
5 97.2458600 4.829040E-01
6 33.0249500 3.404795E-01
S 6
1 622.7625000 -2.502976E-03
2 147.8839000 -3.315550E-02
3 47.3273500 -1.226387E-01
4 17.5149500 5.353643E-02
5 6.9227220 6.193860E-01
6 2.7682770 4.345878E-01
P 6
1 622.7625000 4.094637E-03
2 147.8839000 3.145199E-02
3 47.3273500 1.351558E-01
4 17.5149500 3.390500E-01
5 6.9227220 4.629455E-01
6 2.7682770 2.242638E-01
S 6
1 11.8480200 1.277689E-02
2 4.0792110 2.098767E-01
3 1.7634810 -3.095274E-03
4 0.7889270 -5.593884E-01
5 0.3503870 -5.134760E-01
6 0.1463440 -6.598035E-02
P 6
1 11.8480200 -1.221377E-02
2 4.0792110 -6.900537E-03
3 1.7634810 2.007466E-01
4 0.7889270 4.281332E-01
5 0.3503870 3.970156E-01
6 0.1463440 1.104718E-01
S 3
1 0.7168010 -5.237772E-02
2 0.2337410 -2.798503E-01
3 0.0386750 1.141547E+00
P 3
1 0.7168010 0.0316430
2 0.2337410 -0.0404616
3 0.0386750 1.0120290
S 1
1 0.0165210 1.000000E+00
P 1
1 0.0165210 1.000000E+00
S 1
1 0.0047000 1.0000000
P 1
1 0.0047000 1.0000000
CALCIUM
S 6
1 35264.8600000 1.813501E-03
2 5295.5030000 1.388493E-02
3 1206.0200000 6.836162E-02
4 339.6839000 2.356188E-01
5 108.6264000 4.820639E-01
6 36.9210300 3.429819E-01
S 6
1 706.3096000 2.448225E-03
2 167.8187000 3.241504E-02
3 53.8255800 1.226219E-01
4 20.0163800 -4.316965E-02
5 7.9702790 -6.126995E-01
6 3.2120590 -4.487540E-01
P 6
1 706.3096000 4.020371E-03
2 167.8187000 3.100601E-02
3 53.8255800 1.337279E-01
4 20.0163800 3.367983E-01
5 7.9702790 4.631281E-01
6 3.2120590 2.257532E-01
S 6
1 14.1951800 1.084500E-02
2 4.8808280 2.088333E-01
3 2.1603900 3.150338E-02
4 0.9878990 -5.526518E-01
5 0.4495170 -5.437997E-01
6 0.1873870 -6.669342E-02
P 6
1 14.1951800 -1.289621E-02
2 4.8808280 -1.025198E-02
3 2.1603900 1.959781E-01
4 0.9878990 4.357933E-01
5 0.4495170 3.996452E-01
6 0.1873870 9.713636E-02
S 3
1 1.0322710 -4.439720E-02
2 0.3811710 -3.284563E-01
3 0.0651310 1.163010E+00
P 3
1 1.0322710 -0.4298621
2 0.3811710 0.006935829
3 0.0651310 0.9705933
S 1
1 0.0260100 1.000000E+00
P 1
1 0.0260100 1.000000E+00
S 1
1 0.0071000 1.0000000
P 1
1 0.0071000 1.0000000

671
basis/6-31+g_star Normal file
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@ -0,0 +1,671 @@
HYDROGEN
S 3
1 0.1873113696E+02 0.3349460434E-01
2 0.2825394365E+01 0.2347269535E+00
3 0.6401216923E+00 0.8137573261E+00
S 1
1 0.1612777588E+00 1.0000000
HELIUM
S 3
1 0.3842163400E+02 0.4013973935E-01
2 0.5778030000E+01 0.2612460970E+00
3 0.1241774000E+01 0.7931846246E+00
S 1
1 0.2979640000E+00 1.0000000
LITHIUM
S 6
1 642.4189200 0.0021426
2 96.7985150 0.0162089
3 22.0911210 0.0773156
4 6.2010703 0.2457860
5 1.9351177 0.4701890
6 0.6367358 0.3454708
S 3
1 2.3249184 -0.0350917
2 0.6324306 -0.1912328
3 0.0790534 1.0839878
P 3
1 2.3249184 0.0089415
2 0.6324306 0.1410095
3 0.0790534 0.9453637
S 1
1 0.0359620 1.0000000
P 1
1 0.0359620 1.0000000
S 1
1 0.0074000 1.0000000
P 1
1 0.0074000 1.0000000
D 1
1 0.2000000 1.0000000
BERYLLIUM
S 6
1 1264.5857000 0.0019448
2 189.9368100 0.0148351
3 43.1590890 0.0720906
4 12.0986630 0.2371542
5 3.8063232 0.4691987
6 1.2728903 0.3565202
S 3
1 3.1964631 -0.1126487
2 0.7478133 -0.2295064
3 0.2199663 1.1869167
P 3
1 3.1964631 0.0559802
2 0.7478133 0.2615506
3 0.2199663 0.7939723
S 1
1 0.0823099 1.0000000
P 1
1 0.0823099 1.0000000
S 1
1 0.0207000 1.0000000
P 1
1 0.0207000 1.0000000
D 1
1 0.4000000 1.0000000
BORON
S 6
1 2068.8823000 0.0018663
2 310.6495700 0.0142515
3 70.6830330 0.0695516
4 19.8610800 0.2325729
5 6.2993048 0.4670787
6 2.1270270 0.3634314
S 3
1 4.7279710 -0.1303938
2 1.1903377 -0.1307889
3 0.3594117 1.1309444
P 3
1 4.7279710 0.0745976
2 1.1903377 0.3078467
3 0.3594117 0.7434568
S 1
1 0.1267512 1.0000000
P 1
1 0.1267512 1.0000000
S 1
1 0.0315000 1.0000000
P 1
1 0.0315000 1.0000000
D 1
1 0.6000000 1.0000000
CARBON
S 6
1 3047.5249000 0.0018347
2 457.3695100 0.0140373
3 103.9486900 0.0688426
4 29.2101550 0.2321844
5 9.2866630 0.4679413
6 3.1639270 0.3623120
S 3
1 7.8682724 -0.1193324
2 1.8812885 -0.1608542
3 0.5442493 1.1434564
P 3
1 7.8682724 0.0689991
2 1.8812885 0.3164240
3 0.5442493 0.7443083
S 1
1 0.1687144 1.0000000
P 1
1 0.1687144 1.0000000
S 1
1 0.0438000 1.0000000
P 1
1 0.0438000 1.0000000
D 1
1 0.8000000 1.0000000
NITROGEN
S 6
1 4173.5110000 0.0018348
2 627.4579000 0.0139950
3 142.9021000 0.0685870
4 40.2343300 0.2322410
5 12.8202100 0.4690700
6 4.3904370 0.3604550
S 3
1 11.6263580 -0.1149610
2 2.7162800 -0.1691180
3 0.7722180 1.1458520
P 3
1 11.6263580 0.0675800
2 2.7162800 0.3239070
3 0.7722180 0.7408950
S 1
1 0.2120313 1.0000000
P 1
1 0.2120313 1.0000000
S 1
1 0.0639000 1.0000000
P 1
1 0.0639000 1.0000000
D 1
1 0.8000000 1.0000000
OXYGEN
S 6
1 5484.6717000 0.0018311
2 825.2349500 0.0139501
3 188.0469600 0.0684451
4 52.9645000 0.2327143
5 16.8975700 0.4701930
6 5.7996353 0.3585209
S 3
1 15.5396160 -0.1107775
2 3.5999336 -0.1480263
3 1.0137618 1.1307670
P 3
1 15.5396160 0.0708743
2 3.5999336 0.3397528
3 1.0137618 0.7271586
S 1
1 0.2700058 1.0000000
P 1
1 0.2700058 1.0000000
S 1
1 0.0845000 1.0000000
P 1
1 0.0845000 1.0000000
D 1
1 0.8000000 1.0000000
FLUORINE
S 6
1 7001.7130900 0.0018196169
2 1051.3660900 0.0139160796
3 239.2856900 0.0684053245
4 67.3974453 0.233185760
5 21.5199573 0.471267439
6 7.40310130 0.356618546
S 3
1 20.8479528 -0.1085070
2 4.8083083 -0.1464517
3 1.3440699 1.1286886
P 3
1 20.8479528 0.0716287
2 4.8083083 0.3459121
3 1.3440699 0.7224700
S 1
1 0.3581514 1.0000000
P 1
1 0.3581514 1.0000000
S 1
1 0.1076000 1.0000000
P 1
1 0.1076000 1.0000000
D 1
1 0.8000000 1.0000000
NEON
S 6
1 8425.8515300 0.0018843481
2 1268.5194000 0.0143368994
3 289.6214140 0.0701096233
4 81.8590040 0.2373732660
5 26.2515079 0.4730071260
6 9.09472051 0.3484012410
S 3
1 26.5321310 -0.1071183
2 6.1017550 -0.1461638
3 1.6962715 1.1277735
P 3
1 26.5321310 0.0719096
2 6.1017550 0.3495134
3 1.6962715 0.7199405
S 1
1 0.4458187 1.0000000
P 1
1 0.4458187 1.0000000
S 1
1 0.1300000 1.0000000
P 1
1 0.1300000 1.0000000
D 1
1 0.8000000 1.0000000
SODIUM
S 6
1 9993.2000000 0.0019377
2 1499.8900000 0.0148070
3 341.9510000 0.0727060
4 94.6797000 0.2526290
5 29.7345000 0.4932420
6 10.0063000 0.3131690
S 6
1 150.9630000 -0.0035421
2 35.5878000 -0.0439590
3 11.1683000 -0.1097521
4 3.9020100 0.1873980
5 1.3817700 0.6466990
6 0.4663820 0.3060580
P 6
1 150.9630000 0.0050017
2 35.5878000 0.0355110
3 11.1683000 0.1428250
4 3.9020100 0.3386200
5 1.3817700 0.4515790
6 0.4663820 0.2732710
S 3
1 0.4979660 -0.2485030
2 0.0843530 -0.1317040
3 0.0666350 1.2335200
P 3
1 0.4979660 -0.0230230
2 0.0843530 0.9503590
3 0.0666350 0.0598580
S 1
1 0.0259544 1.0000000
P 1
1 0.0259544 1.0000000
S 1
1 0.0076000 1.0000000
P 1
1 0.0076000 1.0000000
D 1
1 0.1750000 1.0000000
MAGNESIUM
S 6
1 11722.8000000 0.0019778
2 1759.9300000 0.0151140
3 400.8460000 0.0739110
4 112.8070000 0.2491910
5 35.9997000 0.4879280
6 12.1828000 0.3196620
S 6
1 189.1800000 -0.0032372
2 45.2119000 -0.0410080
3 14.3563000 -0.1126000
4 5.1388600 0.1486330
5 1.9065200 0.6164970
6 0.7058870 0.3648290
P 6
1 189.1800000 0.0049281
2 45.2119000 0.0349890
3 14.3563000 0.1407250
4 5.1388600 0.3336420
5 1.9065200 0.4449400
6 0.7058870 0.2692540
S 3
1 0.9293400 -0.2122900
2 0.2690350 -0.1079850
3 0.1173790 1.1758400
P 3
1 0.9293400 -0.0224190
2 0.2690350 0.1922700
3 0.1173790 0.8461810
S 1
1 0.0421061 1.0000000
P 1
1 0.0421061 1.0000000
S 1
1 0.0146000 1.0000000
P 1
1 0.0146000 1.0000000
D 1
1 0.1750000 1.0000000
ALUMINUM
S 6
1 13983.1000000 0.00194267
2 2098.7500000 0.0148599
3 477.7050000 0.0728494
4 134.3600000 0.2468300
5 42.8709000 0.4872580
6 14.5189000 0.3234960
S 6
1 239.6680000 -0.0029262
2 57.4419000 -0.0374080
3 18.2859000 -0.1144870
4 6.5991400 0.1156350
5 2.4904900 0.6125950
6 0.9445400 0.3937990
P 6
1 239.6680000 0.0046029
2 57.4419000 0.0331990
3 18.2859000 0.1362820
4 6.5991400 0.3304760
5 2.4904900 0.4491460
6 0.9445400 0.2657040
S 3
1 1.2779000 -0.2276060
2 0.3975900 0.0014458
3 0.1600950 1.0927900
P 3
1 1.2779000 -0.0175130
2 0.3975900 0.2445330
3 0.1600950 0.8049340
S 1
1 0.0556577 1.0000000
P 1
1 0.0556577 1.0000000
S 1
1 0.0318000 1.0000000
P 1
1 0.0318000 1.0000000
D 1
1 0.3250000 1.0000000
SILICON
S 6
1 16115.9000000 0.00195948
2 2425.5800000 0.01492880
3 553.8670000 0.07284780
4 156.3400000 0.24613000
5 50.0683000 0.48591400
6 17.0178000 0.32500200
S 6
1 292.7180000 -0.0027809
2 69.8731000 -0.0357146
3 22.3363000 -0.1149850
4 8.1503900 0.0935634
5 3.1345800 0.6030170
6 1.2254300 0.4189590
P 6
1 292.7180000 0.0044383
2 69.8731000 0.0326679
3 22.3363000 0.1347210
4 8.1503900 0.3286780
5 3.1345800 0.4496400
6 1.2254300 0.2613720
S 3
1 1.7273800 -0.2446300
2 0.5729220 0.0043157
3 0.2221920 1.0981800
P 3
1 1.7273800 -0.0177951
2 0.5729220 0.2535390
3 0.2221920 0.8006690
S 1
1 0.0778369 1.0000000
P 1
1 0.0778369 1.0000000
S 1
1 0.0331000 1.0000000
P 1
1 0.0331000 1.0000000
D 1
1 0.4500000 1.0000000
PHOSPHORUS
S 6
1 19413.3000000 0.0018516
2 2909.4200000 0.0142062
3 661.3640000 0.0699995
4 185.7590000 0.2400790
5 59.1943000 0.4847620
6 20.0310000 0.3352000
S 6
1 339.4780000 -0.0027822
2 81.0101000 -0.0360499
3 25.8780000 -0.1166310
4 9.4522100 0.0968328
5 3.6656600 0.6144180
6 1.4674600 0.4037980
P 6
1 339.4780000 0.0045646
2 81.0101000 0.0336936
3 25.8780000 0.1397550
4 9.4522100 0.3393620
5 3.6656600 0.4509210
6 1.4674600 0.2385860
S 3
1 2.1562300 -0.2529230
2 0.7489970 0.0328517
3 0.2831450 1.0812500
P 3
1 2.1562300 -0.0177653
2 0.7489970 0.2740580
3 0.2831450 0.7854210
S 1
1 0.0998317 1.0000000
P 1
1 0.0998317 1.0000000
S 1
1 0.0348000 1.0000000
P 1
1 0.0348000 1.0000000
D 1
1 0.5500000 1.0000000
SULFUR
S 6
1 21917.1000000 0.0018690
2 3301.4900000 0.0142300
3 754.1460000 0.0696960
4 212.7110000 0.2384870
5 67.9896000 0.4833070
6 23.0515000 0.3380740
S 6
1 423.7350000 -0.0023767
2 100.7100000 -0.0316930
3 32.1599000 -0.1133170
4 11.8079000 0.0560900
5 4.6311000 0.5922550
6 1.8702500 0.4550060
P 6
1 423.7350000 0.0040610
2 100.7100000 0.0306810
3 32.1599000 0.1304520
4 11.8079000 0.3272050
5 4.6311000 0.4528510
6 1.8702500 0.2560420
S 3
1 2.6158400 -0.2503740
2 0.9221670 0.0669570
3 0.3412870 1.0545100
P 3
1 2.6158400 -0.0145110
2 0.9221670 0.3102630
3 0.3412870 0.7544830
S 1
1 0.1171670 1.0000000
P 1
1 0.1171670 1.0000000
S 1
1 0.0405000 1.0000000
P 1
1 0.0405000 1.0000000
D 1
1 0.6500000 1.0000000
CHLORINE
S 6
1 25180.1000000 0.0018330
2 3780.3500000 0.0140340
3 860.4740000 0.0690970
4 242.1450000 0.2374520
5 77.3349000 0.4830340
6 26.2470000 0.3398560
S 6
1 491.7650000 -0.0022974
2 116.9840000 -0.0307140
3 37.4153000 -0.1125280
4 13.7834000 0.0450160
5 5.4521500 0.5893530
6 2.2258800 0.4652060
P 6
1 491.7650000 0.0039894
2 116.9840000 0.0303180
3 37.4153000 0.1298800
4 13.7834000 0.3279510
5 5.4521500 0.4535270
6 2.2258800 0.2521540
S 3
1 3.1864900 -0.2518300
2 1.1442700 0.0615890
3 0.4203770 1.0601800
P 3
1 3.1864900 -0.0142990
2 1.1442700 0.3235720
3 0.4203770 0.7435070
S 1
1 0.1426570 1.0000000
P 1
1 0.1426570 1.0000000
S 1
1 0.0483000 1.0000000
P 1
1 0.0483000 1.0000000
D 1
1 0.7500000 1.0000000
ARGON
S 6
1 28348.3000000 0.00182526
2 4257.6200000 0.01396860
3 969.8570000 0.06870730
4 273.2630000 0.23620400
5 87.3695000 0.48221400
6 29.6867000 0.34204300
S 6
1 575.8910000 -0.0021597
2 136.8160000 -0.0290775
3 43.8098000 -0.1108270
4 16.2094000 0.0276999
5 6.4608400 0.5776130
6 2.6511400 0.4886880
P 6
1 575.8910000 0.0038066
2 136.8160000 0.0292305
3 43.8098000 0.1264670
4 16.2094000 0.3235100
5 6.4608400 0.4548960
6 2.6511400 0.2566300
S 3
1 3.8602800 -0.2555920
2 1.4137300 0.0378066
3 0.5166460 1.0805600
P 3
1 3.8602800 -0.0159197
2 1.4137300 0.3246460
3 0.5166460 0.7439900
S 1
1 0.1738880 1.0000000
P 1
1 0.1738880 1.0000000
S 1
1 0.0600000 1.0000000
P 1
1 0.0600000 1.0000000
D 1
1 0.8500000 1.0000000
POTASSIUM
S 6
1 31594.4200000 1.828010E-03
2 4744.3300000 1.399403E-02
3 1080.4190000 6.887129E-02
4 304.2338000 2.369760E-01
5 97.2458600 4.829040E-01
6 33.0249500 3.404795E-01
S 6
1 622.7625000 -0.0025030
2 147.8839000 -0.0331555
3 47.3273500 -0.1226387
4 17.5149500 0.0535364
5 6.9227220 0.6193860
6 2.7682770 0.4345878
P 6
1 622.7625000 0.0040946
2 147.8839000 0.0314520
3 47.3273500 0.1351558
4 17.5149500 0.3390500
5 6.9227220 0.4629455
6 2.7682770 0.2242638
S 6
1 11.8480200 0.0127769
2 4.0792110 0.2098767
3 1.7634810 -0.0030953
4 0.7889270 -0.5593884
5 0.3503870 -0.5134760
6 0.1463440 -0.0659803
P 6
1 11.8480200 -0.0122138
2 4.0792110 -0.0069005
3 1.7634810 0.2007466
4 0.7889270 0.4281332
5 0.3503870 0.3970156
6 0.1463440 0.1104718
S 3
1 0.7168010 -0.0523777
2 0.2337410 -0.2798503
3 0.0386750 1.1415470
P 3
1 0.7168010 0.0316430
2 0.2337410 -0.0404616
3 0.0386750 1.0120290
S 1
1 0.0165210 1.0000000
P 1
1 0.0165210 1.0000000
S 1
1 0.0047000 1.0000000
P 1
1 0.0047000 1.0000000
D 1
1 0.2000000 1.0000000
CALCIUM
S 6
1 35264.8600000 1.813501E-03
2 5295.5030000 1.388493E-02
3 1206.0200000 6.836162E-02
4 339.6839000 2.356188E-01
5 108.6264000 4.820639E-01
6 36.9210300 3.429819E-01
S 6
1 706.3096000 0.0024482
2 167.8187000 0.0324150
3 53.8255800 0.1226219
4 20.0163800 -0.0431696
5 7.9702790 -0.6126995
6 3.2120590 -0.4487540
P 6
1 706.3096000 0.0040204
2 167.8187000 0.0310060
3 53.8255800 0.1337279
4 20.0163800 0.3367983
5 7.9702790 0.4631281
6 3.2120590 0.2257532
S 6
1 14.1951800 0.0108450
2 4.8808280 0.2088333
3 2.1603900 0.0315034
4 0.9878990 -0.5526518
5 0.4495170 -0.5437997
6 0.1873870 -0.0666934
P 6
1 14.1951800 -0.0128962
2 4.8808280 -0.0102520
3 2.1603900 0.1959781
4 0.9878990 0.4357933
5 0.4495170 0.3996452
6 0.1873870 0.0971364
S 3
1 1.0322710 -0.0443972
2 0.3811710 -0.3284563
3 0.0651310 1.1630100
P 3
1 1.0322710 -0.4298621
2 0.3811710 0.0069358
3 0.0651310 0.9705933
S 1
1 0.0260100 1.0000000
P 1
1 0.0260100 1.0000000
S 1
1 0.0071000 1.0000000
P 1
1 0.0071000 1.0000000
D 1
1 0.2000000 1.0000000

747
basis/6-311++g_2d_2p Normal file
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@ -0,0 +1,747 @@
HYDROGEN
S 3
1 33.8650000 0.0254938
2 5.0947900 0.1903730
3 1.1587900 0.8521610
S 1
1 0.3258400 1.0000000
S 1
1 0.1027410 1.0000000
S 1
1 0.0360000 1.0000000
P 1
1 1.5000000 1.0000000
P 1
1 0.3750000 1.0000000
HELIUM
S 3
1 98.12430 0.0287452
2 14.76890 0.208061
3 3.318830 0.837635
S 1
1 0.874047 1.000000
S 1
1 0.244564 1.000000
P 1
1 0.750 1.000000
LITHIUM
S 6
1 900.4600000 0.00228704
2 134.4330000 0.0176350
3 30.4365000 0.0873434
4 8.6263900 0.2809770
5 2.4833200 0.6587410
6 0.3031790 0.1187120
S 3
1 4.8689000 0.0933293
2 0.8569240 0.9430450
3 0.2432270 -0.0027983
P 3
1 4.8689000 0.0327661
2 0.8569240 0.1597920
3 0.2432270 0.8856670
S 1
1 0.0635070 1.0000000
P 1
1 0.0635070 1.0000000
S 1
1 0.0243683 1.0000000
P 1
1 0.0243683 1.0000000
S 1
1 0.0074000 1.0000000
P 1
1 0.0074000 1.0000000
D 1
1 0.4000000 1.0000000
D 1
1 0.1000000 1.0000000
BERYLLIUM
S 6
1 1682.8000000 0.00228574
2 251.7150000 0.0175938
3 57.4116000 0.0863315
4 16.5171000 0.2818350
5 4.8536400 0.6405940
6 0.6268630 0.1444670
S 3
1 8.3093800 0.1086210
2 1.7407500 0.9273010
3 0.4858160 -0.0029717
P 3
1 8.3093800 0.0361344
2 1.7407500 0.2169580
3 0.4858160 0.8418390
S 1
1 0.1636130 1.0000000
P 1
1 0.1636130 1.0000000
S 1
1 0.0567285 1.0000000
P 1
1 0.0567285 1.0000000
S 1
1 0.0207000 1.0000000
P 1
1 0.0207000 1.0000000
D 1
1 0.5100000 1.0000000
D 1
1 0.1275000 1.0000000
BORON
S 6
1 2858.8900000 0.00215375
2 428.1400000 0.0165823
3 97.5282000 0.0821870
4 27.9693000 0.2766180
5 8.2157700 0.6293160
6 1.1127800 0.1737700
S 3
1 13.2415000 0.1174430
2 3.0016600 0.9180020
3 0.9128560 -0.0026510
P 3
1 13.2415000 0.0418100
2 3.0016600 0.2365750
3 0.9128560 0.8162140
S 1
1 0.3154540 1.0000000
P 1
1 0.3154540 1.0000000
S 1
1 0.0988563 1.0000000
P 1
1 0.0988563 1.0000000
S 1
1 0.0315000 1.0000000
P 1
1 0.0315000 1.0000000
D 1
1 0.8020000 1.0000000
D 1
1 0.2005000 1.0000000
CARBON
S 6
1 4563.2400000 0.00196665
2 682.0240000 0.0152306
3 154.9730000 0.0761269
4 44.4553000 0.2608010
5 13.0290000 0.6164620
6 1.8277300 0.2210060
S 3
1 20.9642000 0.1146600
2 4.8033100 0.9199990
3 1.4593300 -0.0030307
P 3
1 20.9642000 0.0402487
2 4.8033100 0.2375940
3 1.4593300 0.8158540
S 1
1 0.4834560 1.0000000
P 1
1 0.4834560 1.0000000
S 1
1 0.1455850 1.0000000
P 1
1 0.1455850 1.0000000
S 1
1 0.0438000 1.0000000
P 1
1 0.0438000 1.0000000
D 1
1 1.2520000 1.0000000
D 1
1 0.3130000 1.0000000
NITROGEN
S 6
1 6293.4800000 0.00196979
2 949.0440000 0.0149613
3 218.7760000 0.0735006
4 63.6916000 0.2489370
5 18.8282000 0.6024600
6 2.7202300 0.2562020
S 3
1 30.6331000 0.1119060
2 7.0261400 0.9216660
3 2.1120500 -0.0025692
P 3
1 30.6331000 0.0383119
2 7.0261400 0.2374030
3 2.1120500 0.8175920
S 1
1 0.6840090 1.0000000
P 1
1 0.6840090 1.0000000
S 1
1 0.2008780 1.0000000
P 1
1 0.2008780 1.0000000
S 1
1 0.0639000 1.0000000
P 1
1 0.0639000 1.0000000
D 1
1 1.8260000 1.0000000
D 1
1 0.4565000 1.0000000
OXYGEN
S 6
1 8588.5000000 0.00189515
2 1297.2300000 0.0143859
3 299.2960000 0.0707320
4 87.3771000 0.2400010
5 25.6789000 0.5947970
6 3.7400400 0.2808020
S 3
1 42.1175000 0.1138890
2 9.6283700 0.9208110
3 2.8533200 -0.0032745
P 3
1 42.1175000 0.0365114
2 9.6283700 0.2371530
3 2.8533200 0.8197020
S 1
1 0.9056610 1.0000000
P 1
1 0.9056610 1.0000000
S 1
1 0.2556110 1.0000000
P 1
1 0.2556110 1.0000000
S 1
1 0.0845000 1.0000000
P 1
1 0.0845000 1.0000000
D 1
1 2.5840000 1.0000000
D 1
1 0.6460000 1.0000000
FLUORINE
S 6
1 11427.1000000 0.00180093
2 1722.3500000 0.0137419
3 395.7460000 0.0681334
4 115.1390000 0.2333250
5 33.6026000 0.5890860
6 4.9190100 0.2995050
S 3
1 55.4441000 0.1145360
2 12.6323000 0.9205120
3 3.7175600 -0.0033780
P 3
1 55.4441000 0.0354609
2 12.6323000 0.2374510
3 3.7175600 0.8204580
S 1
1 1.1654500 1.0000000
P 1
1 1.1654500 1.0000000
S 1
1 0.3218920 1.0000000
P 1
1 0.3218920 1.0000000
S 1
1 0.1076000 1.0000000
P 1
1 0.1076000 1.0000000
D 1
1 3.5000000 1.0000000
D 1
1 0.8750000 1.0000000
NEON
S 6
1 13995.7000000 0.00183276
2 2117.1000000 0.0138827
3 490.4250000 0.0680687
4 143.8330000 0.2313280
5 41.9265000 0.5858900
6 6.1568400 0.3058830
S 3
1 69.1211000 0.1191490
2 15.8350000 0.9173750
3 4.6732600 -0.0040584
P 3
1 69.1211000 0.0356574
2 15.8350000 0.2394770
3 4.6732600 0.8184610
S 1
1 1.4575600 1.0000000
P 1
1 1.4575600 1.0000000
S 1
1 0.3970570 1.0000000
P 1
1 0.3970570 1.0000000
S 1
1 0.1300000 1.0000000
P 1
1 0.1300000 1.0000000
D 1
1 4.6080000 1.0000000
D 1
1 1.1520000 1.0000000
SODIUM
S 6
1 36166.4000000 0.0010320
2 5372.5800000 0.0080710
3 1213.2100000 0.0421290
4 339.6230000 0.1697890
5 109.5530000 0.5146210
6 38.7773000 0.3798170
S 3
1 38.7773000 0.3747620
2 14.5759000 0.5757690
3 5.2699300 0.1129330
S 1
1 1.8277700 1.0000000
S 1
1 0.6199480 1.0000000
S 1
1 0.0572400 1.0000000
S 1
1 0.0240480 1.0000000
P 4
1 144.6450000 0.0114850
2 33.9074000 0.0823830
3 10.6285000 0.3196580
4 3.8238900 0.7012950
P 2
1 1.4442900 0.6385060
2 0.5526210 0.4253650
P 1
1 0.1887200 1.0000000
P 1
1 0.0465010 1.0000000
P 1
1 0.0162850 1.0000000
S 1
1 0.0076000 1.0000000
P 1
1 0.0076000 1.0000000
D 1
1 0.3500000 1.0000000
D 1
1 0.0875000 1.0000000
MAGNESIUM
S 6
1 43866.5000000 0.0009180
2 6605.3700000 0.0070470
3 1513.2600000 0.0359410
4 432.3170000 0.1414610
5 142.1490000 0.4267640
6 51.3983000 0.4979750
S 3
1 51.3983000 0.2513550
2 19.9196000 0.6186710
3 8.0247400 0.1884170
S 1
1 2.5081700 1.0000000
S 1
1 0.8715310 1.0000000
S 1
1 0.1081880 1.0000000
S 1
1 0.0401300 1.0000000
P 4
1 193.8540000 0.0101880
2 45.4420000 0.0753600
3 14.1864000 0.3074190
4 5.0575100 0.7175750
P 2
1 1.8886100 0.6673390
2 0.7226520 0.3946490
P 1
1 0.2364170 1.0000000
P 1
1 0.0933580 1.0000000
P 1
1 0.0348090 1.0000000
S 1
1 0.0146000 1.0000000
P 1
1 0.0146000 1.0000000
D 1
1 0.3500000 1.0000000
D 1
1 0.0875000 1.0000000
ALUMINUM
S 6
1 54866.4890000 0.0008390
2 8211.7665000 0.0065270
3 1866.1761000 0.0336660
4 531.1293400 0.1329020
5 175.1179700 0.4012660
6 64.0055000 0.5313380
S 3
1 64.0055000 0.2023050
2 25.2925070 0.6247900
3 10.5349100 0.2274390
S 1
1 3.2067110 1.0000000
S 1
1 1.1525550 1.0000000
S 1
1 0.1766780 1.0000000
S 1
1 0.0652370 1.0000000
P 4
1 259.2836200 0.0094480
2 61.0768700 0.0709740
3 19.3032370 0.2956360
4 7.0108820 0.7282190
P 2
1 2.6738650 0.6444670
2 1.0365960 0.4174130
P 1
1 0.3168190 1.0000000
P 1
1 0.1142570 1.0000000
P 1
1 0.0413970 1.0000000
S 1
1 0.0318000 1.0000000
P 1
1 0.0318000 1.0000000
D 1
1 0.6500000 1.0000000
D 1
1 0.1625000 1.0000000
SILICON
S 6
1 69379.2300000 0.0007570
2 10354.9400000 0.0059320
3 2333.8796000 0.0310880
4 657.1429500 0.1249670
5 214.3011300 0.3868970
6 77.6291680 0.5548880
S 3
1 77.6291680 0.1778810
2 30.6308070 0.6277650
3 12.8012950 0.2476230
S 1
1 3.9268660 1.0000000
S 1
1 1.4523430 1.0000000
S 1
1 0.2562340 1.0000000
S 1
1 0.0942790 1.0000000
P 4
1 335.4831900 0.0088660
2 78.9003660 0.0682990
3 24.9881500 0.2909580
4 9.2197110 0.7321170
P 2
1 3.6211400 0.6198790
2 1.4513100 0.4391480
P 1
1 0.5049770 1.0000000
P 1
1 0.1863170 1.0000000
P 1
1 0.0654320 1.0000000
S 1
1 0.0331000 1.0000000
P 1
1 0.0331000 1.0000000
D 1
1 0.9000000 1.0000000
D 1
1 0.2250000 1.0000000
PHOSPHORUS
S 6
1 77492.4000000 0.0007810
2 11605.8000000 0.0060680
3 2645.9600000 0.0311600
4 754.9760000 0.1234310
5 248.7550000 0.3782090
6 91.1565000 0.5632620
S 3
1 91.1565000 0.1602550
2 36.2257000 0.6276470
3 15.2113000 0.2638490
S 1
1 4.7941700 1.0000000
S 1
1 1.8079300 1.0000000
S 1
1 0.3568160 1.0000000
S 1
1 0.1147830 1.0000000
P 4
1 384.8430000 0.0092060
2 90.5521000 0.0698740
3 29.1339000 0.2924700
4 10.8862000 0.7281030
P 2
1 4.3525900 0.6283490
2 1.7770600 0.4280440
P 1
1 0.6970050 1.0000000
P 1
1 0.2535320 1.0000000
P 1
1 0.0684930 1.0000000
S 1
1 0.0348000 1.0000000
P 1
1 0.0348000 1.0000000
D 1
1 1.1000000 1.0000000
D 1
1 0.2750000 1.0000000
SULFUR
S 6
1 93413.4000000 0.0007430
2 13961.7000000 0.0057930
3 3169.9100000 0.0299540
4 902.4560000 0.1190280
5 297.1580000 0.3684320
6 108.7020000 0.5772990
S 3
1 108.7020000 0.1431860
2 43.1553000 0.6244650
3 18.1079000 0.2833660
S 1
1 5.5600900 1.0000000
S 1
1 2.1318300 1.0000000
S 1
1 0.4204030 1.0000000
S 1
1 0.1360450 1.0000000
P 4
1 495.0400000 0.0083090
2 117.2210000 0.0640240
3 37.7749000 0.2776140
4 14.0584000 0.7450760
P 2
1 5.5657400 0.6137120
2 2.2629700 0.4438180
P 1
1 0.8079940 1.0000000
P 1
1 0.2774600 1.0000000
P 1
1 0.0771410 1.0000000
S 1
1 0.0405000 1.0000000
P 1
1 0.0405000 1.0000000
D 1
1 1.3000000 1.0000000
D 1
1 0.3250000 1.0000000
CHLORINE
S 6
1 105819.0000000 0.0007380
2 15872.0000000 0.0057180
3 3619.6500000 0.0294950
4 1030.8000000 0.1172860
5 339.9080000 0.3629490
6 124.5380000 0.5841490
S 3
1 124.5380000 0.1341770
2 49.5135000 0.6242500
3 20.8056000 0.2917560
S 1
1 6.5834600 1.0000000
S 1
1 2.5646800 1.0000000
S 1
1 0.5597630 1.0000000
S 1
1 0.1832730 1.0000000
P 5
1 589.7760000 0.0023910
2 139.8490000 0.0185040
3 45.1413000 0.0813770
4 16.8733000 0.2215520
5 6.7411000 0.7725690
P 2
1 6.7411000 -1.5722440
2 2.7715200 0.9923890
P 1
1 1.0238700 1.0000000
P 1
1 0.3813680 1.0000000
P 1
1 0.1094370 1.0000000
S 1
1 0.0483000 1.0000000
P 1
1 0.0483000 1.0000000
D 1
1 1.5000000 1.0000000
D 1
1 0.3750000 1.0000000
ARGON
S 6
1 118022.3800000 0.0007470
2 17683.5410000 0.0057900
3 4027.7657000 0.0299190
4 1145.3977000 0.1192060
5 377.1637500 0.3690280
6 138.1596900 0.5764590
S 3
1 138.1596900 0.1439270
2 54.9891170 0.6229380
3 23.1706670 0.2839640
S 1
1 7.3778600 1.0000000
S 1
1 2.9236880 1.0000000
S 1
1 0.6504050 1.0000000
S 1
1 0.2328250 1.0000000
P 5
1 663.0620100 0.0030820
2 157.0928100 0.0241650
3 50.2311000 0.1082230
4 18.6353450 0.2941920
5 7.4465370 0.6878620
P 2
1 7.4465370 -0.1214482
2 3.0956980 0.1632370
P 1
1 1.1064630 1.0000000
P 1
1 0.4156010 1.0000000
P 1
1 0.1454490 1.0000000
S 1
1 0.0600000 1.0000000
P 1
1 0.0600000 1.0000000
D 1
1 1.7000000 1.0000000
D 1
1 0.4250000 1.0000000
POTASSIUM
S 6
1 182594.0000000 0.000227747
2 27369.0000000 0.00176640
3 6229.1700000 0.00919497
4 1764.5800000 0.03745510
5 577.0510000 0.12204500
6 210.2490000 0.29899000
S 2
1 82.6178000 0.4051470
2 33.2332000 0.2925320
S 1
1 8.1064900 1.0000000
S 1
1 3.3340300 1.0000000
S 1
1 0.8455440 1.0000000
S 1
1 0.3282160 1.0000000
S 1
1 0.0364035 1.0000000
S 1
1 0.0176463 1.0000000
P 3
1 891.0540000 0.00218429
2 211.0160000 0.0175891
3 67.6714000 0.0817775
P 3
1 25.2715000 0.2456560
2 10.1390000 0.4339840
3 4.2018600 0.3623770
P 1
1 1.6250700 1.0000000
P 1
1 0.6437700 1.0000000
P 1
1 0.2461300 1.0000000
P 1
1 0.0454400 1.0000000
P 1
1 0.0161600 1.0000000
S 1
1 0.0047000 1.0000000
P 1
1 0.0047000 1.0000000
D 3
1 13.3700000 0.0316016
2 3.4210000 0.1568790
3 1.0630000 0.3905820
D 1
1 0.4580000 1.0000000
D 1
1 0.1145000 1.0000000
CALCIUM
S 6
1 202699.0000000 0.000222964
2 30382.5000000 0.00172932
3 6915.0800000 0.00900226
4 1959.0200000 0.0366699
5 640.9360000 0.1194100
6 233.9770000 0.2918250
S 2
1 92.2892000 0.4044150
2 37.2545000 0.2963130
S 1
1 9.1319800 1.0000000
S 1
1 3.8177900 1.0000000
S 1
1 1.0493500 1.0000000
S 1
1 0.4286600 1.0000000
S 1
1 0.0628226 1.0000000
S 1
1 0.0260162 1.0000000
P 3
1 1019.7600000 0.00205986
2 241.5960000 0.01665010
3 77.6370000 0.07776460
P 3
1 29.1154000 0.2418060
2 11.7626000 0.4325780
3 4.9228900 0.3673250
P 1
1 1.9064500 1.0000000
P 1
1 0.7369000 1.0000000
P 1
1 0.2764200 1.0000000
P 1
1 0.0602700 1.0000000
P 1
1 0.0179100 1.0000000
S 1
1 0.0071000 1.0000000
P 1
1 0.0071000 1.0000000
D 3
1 15.0800000 0.0368947
2 3.9260000 0.1778200
3 1.2330000 0.4255130
D 1
1 0.5200000 1.0000000
D 1
1 0.1300000 1.0000000

695
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HYDROGEN
S 3
1 33.8650000 0.0254938
2 5.0947900 0.1903730
3 1.1587900 0.8521610
S 1
1 0.3258400 1.0000000
S 1
1 0.1027410 1.0000000
S 1
1 0.0360000 1.0000000
P 1
1 3.0000000 1.0000000
P 1
1 0.7500000 1.0000000
P 1
1 0.1875000 1.0000000
D 1
1 1.0000000 1.0000000
LITHIUM
S 6
1 900.4600000 0.00228704
2 134.4330000 0.0176350
3 30.4365000 0.0873434
4 8.6263900 0.2809770
5 2.4833200 0.6587410
6 0.3031790 0.1187120
S 3
1 4.8689000 0.0933293
2 0.8569240 0.9430450
3 0.2432270 -0.0027983
P 3
1 4.8689000 0.0327661
2 0.8569240 0.1597920
3 0.2432270 0.8856670
S 1
1 0.0635070 1.0000000
P 1
1 0.0635070 1.0000000
S 1
1 0.0243683 1.0000000
P 1
1 0.0243683 1.0000000
S 1
1 0.0074000 1.0000000
P 1
1 0.0074000 1.0000000
D 1
1 0.8000000 1.0000000
D 1
1 0.2000000 1.0000000
D 1
1 0.0500000 1.0000000
F 1
1 0.1500000 1.0000000
BERYLLIUM
S 6
1 1682.8000000 0.00228574
2 251.7150000 0.0175938
3 57.4116000 0.0863315
4 16.5171000 0.2818350
5 4.8536400 0.6405940
6 0.6268630 0.1444670
S 3
1 8.3093800 0.1086210
2 1.7407500 0.9273010
3 0.4858160 -0.0029717
P 3
1 8.3093800 0.0361344
2 1.7407500 0.2169580
3 0.4858160 0.8418390
S 1
1 0.1636130 1.0000000
P 1
1 0.1636130 1.0000000
S 1
1 0.0567285 1.0000000
P 1
1 0.0567285 1.0000000
S 1
1 0.0207000 1.0000000
P 1
1 0.0207000 1.0000000
D 1
1 1.0200000 1.0000000
D 1
1 0.2550000 1.0000000
D 1
1 0.0637500 1.0000000
F 1
1 0.2600000 1.0000000
BORON
S 6
1 2858.8900000 0.00215375
2 428.1400000 0.0165823
3 97.5282000 0.0821870
4 27.9693000 0.2766180
5 8.2157700 0.6293160
6 1.1127800 0.1737700
S 3
1 13.2415000 0.1174430
2 3.0016600 0.9180020
3 0.9128560 -0.0026510
P 3
1 13.2415000 0.0418100
2 3.0016600 0.2365750
3 0.9128560 0.8162140
S 1
1 0.3154540 1.0000000
P 1
1 0.3154540 1.0000000
S 1
1 0.0988563 1.0000000
P 1
1 0.0988563 1.0000000
S 1
1 0.0315000 1.0000000
P 1
1 0.0315000 1.0000000
D 1
1 1.6040000 1.0000000
D 1
1 0.4010000 1.0000000
D 1
1 0.1002500 1.0000000
F 1
1 0.5000000 1.0000000
CARBON
S 6
1 4563.2400000 0.00196665
2 682.0240000 0.0152306
3 154.9730000 0.0761269
4 44.4553000 0.2608010
5 13.0290000 0.6164620
6 1.8277300 0.2210060
S 3
1 20.9642000 0.1146600
2 4.8033100 0.9199990
3 1.4593300 -0.0030307
P 3
1 20.9642000 0.0402487
2 4.8033100 0.2375940
3 1.4593300 0.8158540
S 1
1 0.4834560 1.0000000
P 1
1 0.4834560 1.0000000
S 1
1 0.1455850 1.0000000
P 1
1 0.1455850 1.0000000
S 1
1 0.0438000 1.0000000
P 1
1 0.0438000 1.0000000
D 1
1 2.5040000 1.0000000
D 1
1 0.6260000 1.0000000
D 1
1 0.1565000 1.0000000
F 1
1 0.8000000 1.0000000
NITROGEN
S 6
1 6293.4800000 0.00196979
2 949.0440000 0.0149613
3 218.7760000 0.0735006
4 63.6916000 0.2489370
5 18.8282000 0.6024600
6 2.7202300 0.2562020
S 3
1 30.6331000 0.1119060
2 7.0261400 0.9216660
3 2.1120500 -0.0025692
P 3
1 30.6331000 0.0383119
2 7.0261400 0.2374030
3 2.1120500 0.8175920
S 1
1 0.6840090 1.0000000
P 1
1 0.6840090 1.0000000
S 1
1 0.2008780 1.0000000
P 1
1 0.2008780 1.0000000
S 1
1 0.0639000 1.0000000
P 1
1 0.0639000 1.0000000
D 1
1 3.6520000 1.0000000
D 1
1 0.9130000 1.0000000
D 1
1 0.2282500 1.0000000
F 1
1 1.0000000 1.0000000
OXYGEN
S 6
1 8588.5000000 0.00189515
2 1297.2300000 0.0143859
3 299.2960000 0.0707320
4 87.3771000 0.2400010
5 25.6789000 0.5947970
6 3.7400400 0.2808020
S 3
1 42.1175000 0.1138890
2 9.6283700 0.9208110
3 2.8533200 -0.0032745
P 3
1 42.1175000 0.0365114
2 9.6283700 0.2371530
3 2.8533200 0.8197020
S 1
1 0.9056610 1.0000000
P 1
1 0.9056610 1.0000000
S 1
1 0.2556110 1.0000000
P 1
1 0.2556110 1.0000000
S 1
1 0.0845000 1.0000000
P 1
1 0.0845000 1.0000000
D 1
1 5.1600000 1.0000000
D 1
1 1.2920000 1.0000000
D 1
1 0.3225000 1.0000000
F 1
1 1.4000000 1.0000000
FLUORINE
S 6
1 11427.1000000 0.00180093
2 1722.3500000 0.0137419
3 395.7460000 0.0681334
4 115.1390000 0.2333250
5 33.6026000 0.5890860
6 4.9190100 0.2995050
S 3
1 55.4441000 0.1145360
2 12.6323000 0.9205120
3 3.7175600 -0.0033780
P 3
1 55.4441000 0.0354609
2 12.6323000 0.2374510
3 3.7175600 0.8204580
S 1
1 1.1654500 1.0000000
P 1
1 1.1654500 1.0000000
S 1
1 0.3218920 1.0000000
P 1
1 0.3218920 1.0000000
S 1
1 0.1076000 1.0000000
P 1
1 0.1076000 1.0000000
D 1
1 7.0000000 1.0000000
D 1
1 1.7500000 1.0000000
D 1
1 0.4375000 1.0000000
F 1
1 1.8500000 1.0000000
NEON
S 6
1 13995.7000000 0.00183276
2 2117.1000000 0.0138827
3 490.4250000 0.0680687
4 143.8330000 0.2313280
5 41.9265000 0.5858900
6 6.1568400 0.3058830
S 3
1 69.1211000 0.1191490
2 15.8350000 0.9173750
3 4.6732600 -0.0040584
P 3
1 69.1211000 0.0356574
2 15.8350000 0.2394770
3 4.6732600 0.8184610
S 1
1 1.4575600 1.0000000
P 1
1 1.4575600 1.0000000
S 1
1 0.3970570 1.0000000
P 1
1 0.3970570 1.0000000
S 1
1 0.1300000 1.0000000
P 1
1 0.1300000 1.0000000
D 1
1 9.2160000 1.0000000
D 1
1 2.3040000 1.0000000
D 1
1 0.5760000 1.0000000
F 1
1 2.5000000 1.0000000
SODIUM
S 6
1 36166.4000000 0.0010320
2 5372.5800000 0.0080710
3 1213.2100000 0.0421290
4 339.6230000 0.1697890
5 109.5530000 0.5146210
6 38.7773000 0.3798170
S 3
1 38.7773000 0.3747620
2 14.5759000 0.5757690
3 5.2699300 0.1129330
S 1
1 1.8277700 1.0000000
S 1
1 0.6199480 1.0000000
S 1
1 0.0572400 1.0000000
S 1
1 0.0240480 1.0000000
P 4
1 144.6450000 0.0114850
2 33.9074000 0.0823830
3 10.6285000 0.3196580
4 3.8238900 0.7012950
P 2
1 1.4442900 0.6385060
2 0.5526210 0.4253650
P 1
1 0.1887200 1.0000000
P 1
1 0.0465010 1.0000000
P 1
1 0.0162850 1.0000000
S 1
1 0.0076000 1.0000000
P 1
1 0.0076000 1.0000000
D 1
1 0.7000000 1.0000000
D 1
1 0.1750000 1.0000000
D 1
1 0.0437500 1.0000000
F 1
1 0.1500000 1.0000000
MAGNESIUM
S 6
1 43866.5000000 0.0009180
2 6605.3700000 0.0070470
3 1513.2600000 0.0359410
4 432.3170000 0.1414610
5 142.1490000 0.4267640
6 51.3983000 0.4979750
S 3
1 51.3983000 0.2513550
2 19.9196000 0.6186710
3 8.0247400 0.1884170
S 1
1 2.5081700 1.0000000
S 1
1 0.8715310 1.0000000
S 1
1 0.1081880 1.0000000
S 1
1 0.0401300 1.0000000
P 4
1 193.8540000 0.0101880
2 45.4420000 0.0753600
3 14.1864000 0.3074190
4 5.0575100 0.7175750
P 2
1 1.8886100 0.6673390
2 0.7226520 0.3946490
P 1
1 0.2364170 1.0000000
P 1
1 0.0933580 1.0000000
P 1
1 0.0348090 1.0000000
S 1
1 0.0146000 1.0000000
P 1
1 0.0146000 1.0000000
D 1
1 0.7000000 1.0000000
D 1
1 0.1750000 1.0000000
D 1
1 0.0437500 1.0000000
F 1
1 0.2000000 1.0000000
ALUMINUM
S 6
1 54866.4890000 0.0008390
2 8211.7665000 0.0065270
3 1866.1761000 0.0336660
4 531.1293400 0.1329020
5 175.1179700 0.4012660
6 64.0055000 0.5313380
S 3
1 64.0055000 0.2023050
2 25.2925070 0.6247900
3 10.5349100 0.2274390
S 1
1 3.2067110 1.0000000
S 1
1 1.1525550 1.0000000
S 1
1 0.1766780 1.0000000
S 1
1 0.0652370 1.0000000
P 4
1 259.2836200 0.0094480
2 61.0768700 0.0709740
3 19.3032370 0.2956360
4 7.0108820 0.7282190
P 2
1 2.6738650 0.6444670
2 1.0365960 0.4174130
P 1
1 0.3168190 1.0000000
P 1
1 0.1142570 1.0000000
P 1
1 0.0413970 1.0000000
S 1
1 0.0318000 1.0000000
P 1
1 0.0318000 1.0000000
D 1
1 1.3000000 1.0000000
D 1
1 0.3250000 1.0000000
D 1
1 0.0812500 1.0000000
F 1
1 0.2500000 1.0000000
SILICON
S 6
1 69379.2300000 0.0007570
2 10354.9400000 0.0059320
3 2333.8796000 0.0310880
4 657.1429500 0.1249670
5 214.3011300 0.3868970
6 77.6291680 0.5548880
S 3
1 77.6291680 0.1778810
2 30.6308070 0.6277650
3 12.8012950 0.2476230
S 1
1 3.9268660 1.0000000
S 1
1 1.4523430 1.0000000
S 1
1 0.2562340 1.0000000
S 1
1 0.0942790 1.0000000
P 4
1 335.4831900 0.0088660
2 78.9003660 0.0682990
3 24.9881500 0.2909580
4 9.2197110 0.7321170
P 2
1 3.6211400 0.6198790
2 1.4513100 0.4391480
P 1
1 0.5049770 1.0000000
P 1
1 0.1863170 1.0000000
P 1
1 0.0654320 1.0000000
S 1
1 0.0331000 1.0000000
P 1
1 0.0331000 1.0000000
D 1
1 1.8000000 1.0000000
D 1
1 0.4500000 1.0000000
D 1
1 0.1125000 1.0000000
F 1
1 0.3200000 1.0000000
PHOSPHORUS
S 6
1 77492.4000000 0.0007810
2 11605.8000000 0.0060680
3 2645.9600000 0.0311600
4 754.9760000 0.1234310
5 248.7550000 0.3782090
6 91.1565000 0.5632620
S 3
1 91.1565000 0.1602550
2 36.2257000 0.6276470
3 15.2113000 0.2638490
S 1
1 4.7941700 1.0000000
S 1
1 1.8079300 1.0000000
S 1
1 0.3568160 1.0000000
S 1
1 0.1147830 1.0000000
P 4
1 384.8430000 0.0092060
2 90.5521000 0.0698740
3 29.1339000 0.2924700
4 10.8862000 0.7281030
P 2
1 4.3525900 0.6283490
2 1.7770600 0.4280440
P 1
1 0.6970050 1.0000000
P 1
1 0.2535320 1.0000000
P 1
1 0.0684930 1.0000000
S 1
1 0.0348000 1.0000000
P 1
1 0.0348000 1.0000000
D 1
1 2.2000000 1.0000000
D 1
1 0.5500000 1.0000000
D 1
1 0.1375000 1.0000000
F 1
1 0.4500000 1.0000000
SULFUR
S 6
1 93413.4000000 0.0007430
2 13961.7000000 0.0057930
3 3169.9100000 0.0299540
4 902.4560000 0.1190280
5 297.1580000 0.3684320
6 108.7020000 0.5772990
S 3
1 108.7020000 0.1431860
2 43.1553000 0.6244650
3 18.1079000 0.2833660
S 1
1 5.5600900 1.0000000
S 1
1 2.1318300 1.0000000
S 1
1 0.4204030 1.0000000
S 1
1 0.1360450 1.0000000
P 4
1 495.0400000 0.0083090
2 117.2210000 0.0640240
3 37.7749000 0.2776140
4 14.0584000 0.7450760
P 2
1 5.5657400 0.6137120
2 2.2629700 0.4438180
P 1
1 0.8079940 1.0000000
P 1
1 0.2774600 1.0000000
P 1
1 0.0771410 1.0000000
S 1
1 0.0405000 1.0000000
P 1
1 0.0405000 1.0000000
D 1
1 2.6000000 1.0000000
D 1
1 0.6500000 1.0000000
D 1
1 0.1625000 1.0000000
F 1
1 0.5500000 1.0000000
CHLORINE
S 6
1 105819.0000000 0.0007380
2 15872.0000000 0.0057180
3 3619.6500000 0.0294950
4 1030.8000000 0.1172860
5 339.9080000 0.3629490
6 124.5380000 0.5841490
S 3
1 124.5380000 0.1341770
2 49.5135000 0.6242500
3 20.8056000 0.2917560
S 1
1 6.5834600 1.0000000
S 1
1 2.5646800 1.0000000
S 1
1 0.5597630 1.0000000
S 1
1 0.1832730 1.0000000
P 5
1 589.7760000 0.0023910
2 139.8490000 0.0185040
3 45.1413000 0.0813770
4 16.8733000 0.2215520
5 6.7411000 0.7725690
P 2
1 6.7411000 -1.5722440
2 2.7715200 0.9923890
P 1
1 1.0238700 1.0000000
P 1
1 0.3813680 1.0000000
P 1
1 0.1094370 1.0000000
S 1
1 0.0483000 1.0000000
P 1
1 0.0483000 1.0000000
D 1
1 3.0000000 1.0000000
D 1
1 0.7500000 1.0000000
D 1
1 0.1875000 1.0000000
F 1
1 0.7000000 1.0000000
ARGON
S 6
1 118022.3800000 0.0007470
2 17683.5410000 0.0057900
3 4027.7657000 0.0299190
4 1145.3977000 0.1192060
5 377.1637500 0.3690280
6 138.1596900 0.5764590
S 3
1 138.1596900 0.1439270
2 54.9891170 0.6229380
3 23.1706670 0.2839640
S 1
1 7.3778600 1.0000000
S 1
1 2.9236880 1.0000000
S 1
1 0.6504050 1.0000000
S 1
1 0.2328250 1.0000000
P 5
1 663.0620100 0.0030820
2 157.0928100 0.0241650
3 50.2311000 0.1082230
4 18.6353450 0.2941920
5 7.4465370 0.6878620
P 2
1 7.4465370 -0.1214482
2 3.0956980 0.1632370
P 1
1 1.1064630 1.0000000
P 1
1 0.4156010 1.0000000
P 1
1 0.1454490 1.0000000
S 1
1 0.0600000 1.0000000
P 1
1 0.0600000 1.0000000
D 1
1 3.4000000 1.0000000
D 1
1 0.8500000 1.0000000
D 1
1 0.2125000 1.0000000
F 1
1 0.8500000 1.0000000

697
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HYDROGEN
S 3
1 33.8650000 0.0254938
2 5.0947900 0.1903730
3 1.1587900 0.8521610
S 1
1 0.3258400 1.0000000
S 1
1 0.1027410 1.0000000
S 1
1 0.0360000 1.0000000
P 1
1 0.7500000 1.0000000
LITHIUM
S 6
1 900.4600000 0.00228704
2 134.4330000 0.0176350
3 30.4365000 0.0873434
4 8.6263900 0.2809770
5 2.4833200 0.6587410
6 0.3031790 0.1187120
S 3
1 4.8689000 0.0933293
2 0.8569240 0.9430450
3 0.2432270 -0.0027983
P 3
1 4.8689000 0.0327661
2 0.8569240 0.1597920
3 0.2432270 0.8856670
S 1
1 0.0635070 1.0000000
P 1
1 0.0635070 1.0000000
S 1
1 0.0243683 1.0000000
P 1
1 0.0243683 1.0000000
S 1
1 0.0074000 1.0000000
P 1
1 0.0074000 1.0000000
D 1
1 0.2000000 1.0000000
BERYLLIUM
S 6
1 1682.8000000 0.00228574
2 251.7150000 0.0175938
3 57.4116000 0.0863315
4 16.5171000 0.2818350
5 4.8536400 0.6405940
6 0.6268630 0.1444670
S 3
1 8.3093800 0.1086210
2 1.7407500 0.9273010
3 0.4858160 -0.0029717
P 3
1 8.3093800 0.0361344
2 1.7407500 0.2169580
3 0.4858160 0.8418390
S 1
1 0.1636130 1.0000000
P 1
1 0.1636130 1.0000000
S 1
1 0.0567285 1.0000000
P 1
1 0.0567285 1.0000000
S 1
1 0.0207000 1.0000000
P 1
1 0.0207000 1.0000000
D 1
1 0.2550000 1.0000000
BORON
S 6
1 2858.8900000 0.00215375
2 428.1400000 0.0165823
3 97.5282000 0.0821870
4 27.9693000 0.2766180
5 8.2157700 0.6293160
6 1.1127800 0.1737700
S 3
1 13.2415000 0.1174430
2 3.0016600 0.9180020
3 0.9128560 -0.0026510
P 3
1 13.2415000 0.0418100
2 3.0016600 0.2365750
3 0.9128560 0.8162140
S 1
1 0.3154540 1.0000000
P 1
1 0.3154540 1.0000000
S 1
1 0.0988563 1.0000000
P 1
1 0.0988563 1.0000000
S 1
1 0.0315000 1.0000000
P 1
1 0.0315000 1.0000000
D 1
1 0.4010000 1.0000000
CARBON
S 6
1 4563.2400000 0.00196665
2 682.0240000 0.0152306
3 154.9730000 0.0761269
4 44.4553000 0.2608010
5 13.0290000 0.6164620
6 1.8277300 0.2210060
S 3
1 20.9642000 0.1146600
2 4.8033100 0.9199990
3 1.4593300 -0.0030307
P 3
1 20.9642000 0.0402487
2 4.8033100 0.2375940
3 1.4593300 0.8158540
S 1
1 0.4834560 1.0000000
P 1
1 0.4834560 1.0000000
S 1
1 0.1455850 1.0000000
P 1
1 0.1455850 1.0000000
S 1
1 0.0438000 1.0000000
P 1
1 0.0438000 1.0000000
D 1
1 0.6260000 1.0000000
NITROGEN
S 6
1 6293.4800000 0.00196979
2 949.0440000 0.0149613
3 218.7760000 0.0735006
4 63.6916000 0.2489370
5 18.8282000 0.6024600
6 2.7202300 0.2562020
S 3
1 30.6331000 0.1119060
2 7.0261400 0.9216660
3 2.1120500 -0.0025692
P 3
1 30.6331000 0.0383119
2 7.0261400 0.2374030
3 2.1120500 0.8175920
S 1
1 0.6840090 1.0000000
P 1
1 0.6840090 1.0000000
S 1
1 0.2008780 1.0000000
P 1
1 0.2008780 1.0000000
S 1
1 0.0639000 1.0000000
P 1
1 0.0639000 1.0000000
D 1
1 0.9130000 1.0000000
OXYGEN
S 6
1 8588.5000000 0.00189515
2 1297.2300000 0.0143859
3 299.2960000 0.0707320
4 87.3771000 0.2400010
5 25.6789000 0.5947970
6 3.7400400 0.2808020
S 3
1 42.1175000 0.1138890
2 9.6283700 0.9208110
3 2.8533200 -0.0032745
P 3
1 42.1175000 0.0365114
2 9.6283700 0.2371530
3 2.8533200 0.8197020
S 1
1 0.9056610 1.0000000
P 1
1 0.9056610 1.0000000
S 1
1 0.2556110 1.0000000
P 1
1 0.2556110 1.0000000
S 1
1 0.0845000 1.0000000
P 1
1 0.0845000 1.0000000
D 1
1 1.2920000 1.0000000
FLUORINE
S 6
1 11427.1000000 0.00180093
2 1722.3500000 0.0137419
3 395.7460000 0.0681334
4 115.1390000 0.2333250
5 33.6026000 0.5890860
6 4.9190100 0.2995050
S 3
1 55.4441000 0.1145360
2 12.6323000 0.9205120
3 3.7175600 -0.0033780
P 3
1 55.4441000 0.0354609
2 12.6323000 0.2374510
3 3.7175600 0.8204580
S 1
1 1.1654500 1.0000000
P 1
1 1.1654500 1.0000000
S 1
1 0.3218920 1.0000000
P 1
1 0.3218920 1.0000000
S 1
1 0.1076000 1.0000000
P 1
1 0.1076000 1.0000000
D 1
1 1.7500000 1.0000000
NEON
S 6
1 13995.7000000 0.00183276
2 2117.1000000 0.0138827
3 490.4250000 0.0680687
4 143.8330000 0.2313280
5 41.9265000 0.5858900
6 6.1568400 0.3058830
S 3
1 69.1211000 0.1191490
2 15.8350000 0.9173750
3 4.6732600 -0.0040584
P 3
1 69.1211000 0.0356574
2 15.8350000 0.2394770
3 4.6732600 0.8184610
S 1
1 1.4575600 1.0000000
P 1
1 1.4575600 1.0000000
S 1
1 0.3970570 1.0000000
P 1
1 0.3970570 1.0000000
S 1
1 0.1300000 1.0000000
P 1
1 0.1300000 1.0000000
D 1
1 2.3040000 1.0000000
SODIUM
S 6
1 36166.4000000 0.0010320
2 5372.5800000 0.0080710
3 1213.2100000 0.0421290
4 339.6230000 0.1697890
5 109.5530000 0.5146210
6 38.7773000 0.3798170
S 3
1 38.7773000 0.3747620
2 14.5759000 0.5757690
3 5.2699300 0.1129330
S 1
1 1.8277700 1.0000000
S 1
1 0.6199480 1.0000000
S 1
1 0.0572400 1.0000000
S 1
1 0.0240480 1.0000000
P 4
1 144.6450000 0.0114850
2 33.9074000 0.0823830
3 10.6285000 0.3196580
4 3.8238900 0.7012950
P 2
1 1.4442900 0.6385060
2 0.5526210 0.4253650
P 1
1 0.1887200 1.0000000
P 1
1 0.0465010 1.0000000
P 1
1 0.0162850 1.0000000
S 1
1 0.0076000 1.0000000
P 1
1 0.0076000 1.0000000
D 1
1 0.1750000 1.0000000
MAGNESIUM
S 6
1 43866.5000000 0.0009180
2 6605.3700000 0.0070470
3 1513.2600000 0.0359410
4 432.3170000 0.1414610
5 142.1490000 0.4267640
6 51.3983000 0.4979750
S 3
1 51.3983000 0.2513550
2 19.9196000 0.6186710
3 8.0247400 0.1884170
S 1
1 2.5081700 1.0000000
S 1
1 0.8715310 1.0000000
S 1
1 0.1081880 1.0000000
S 1
1 0.0401300 1.0000000
P 4
1 193.8540000 0.0101880
2 45.4420000 0.0753600
3 14.1864000 0.3074190
4 5.0575100 0.7175750
P 2
1 1.8886100 0.6673390
2 0.7226520 0.3946490
P 1
1 0.2364170 1.0000000
P 1
1 0.0933580 1.0000000
P 1
1 0.0348090 1.0000000
S 1
1 0.0146000 1.0000000
P 1
1 0.0146000 1.0000000
D 1
1 0.1750000 1.0000000
ALUMINUM
S 6
1 54866.4890000 0.0008390
2 8211.7665000 0.0065270
3 1866.1761000 0.0336660
4 531.1293400 0.1329020
5 175.1179700 0.4012660
6 64.0055000 0.5313380
S 3
1 64.0055000 0.2023050
2 25.2925070 0.6247900
3 10.5349100 0.2274390
S 1
1 3.2067110 1.0000000
S 1
1 1.1525550 1.0000000
S 1
1 0.1766780 1.0000000
S 1
1 0.0652370 1.0000000
P 4
1 259.2836200 0.0094480
2 61.0768700 0.0709740
3 19.3032370 0.2956360
4 7.0108820 0.7282190
P 2
1 2.6738650 0.6444670
2 1.0365960 0.4174130
P 1
1 0.3168190 1.0000000
P 1
1 0.1142570 1.0000000
P 1
1 0.0413970 1.0000000
S 1
1 0.0318000 1.0000000
P 1
1 0.0318000 1.0000000
D 1
1 0.3250000 1.0000000
SILICON
S 6
1 69379.2300000 0.0007570
2 10354.9400000 0.0059320
3 2333.8796000 0.0310880
4 657.1429500 0.1249670
5 214.3011300 0.3868970
6 77.6291680 0.5548880
S 3
1 77.6291680 0.1778810
2 30.6308070 0.6277650
3 12.8012950 0.2476230
S 1
1 3.9268660 1.0000000
S 1
1 1.4523430 1.0000000
S 1
1 0.2562340 1.0000000
S 1
1 0.0942790 1.0000000
P 4
1 335.4831900 0.0088660
2 78.9003660 0.0682990
3 24.9881500 0.2909580
4 9.2197110 0.7321170
P 2
1 3.6211400 0.6198790
2 1.4513100 0.4391480
P 1
1 0.5049770 1.0000000
P 1
1 0.1863170 1.0000000
P 1
1 0.0654320 1.0000000
S 1
1 0.0331000 1.0000000
P 1
1 0.0331000 1.0000000
D 1
1 0.4500000 1.0000000
PHOSPHORUS
S 6
1 77492.4000000 0.0007810
2 11605.8000000 0.0060680
3 2645.9600000 0.0311600
4 754.9760000 0.1234310
5 248.7550000 0.3782090
6 91.1565000 0.5632620
S 3
1 91.1565000 0.1602550
2 36.2257000 0.6276470
3 15.2113000 0.2638490
S 1
1 4.7941700 1.0000000
S 1
1 1.8079300 1.0000000
S 1
1 0.3568160 1.0000000
S 1
1 0.1147830 1.0000000
P 4
1 384.8430000 0.0092060
2 90.5521000 0.0698740
3 29.1339000 0.2924700
4 10.8862000 0.7281030
P 2
1 4.3525900 0.6283490
2 1.7770600 0.4280440
P 1
1 0.6970050 1.0000000
P 1
1 0.2535320 1.0000000
P 1
1 0.0684930 1.0000000
S 1
1 0.0348000 1.0000000
P 1
1 0.0348000 1.0000000
D 1
1 0.5500000 1.0000000
SULFUR
S 6
1 93413.4000000 0.0007430
2 13961.7000000 0.0057930
3 3169.9100000 0.0299540
4 902.4560000 0.1190280
5 297.1580000 0.3684320
6 108.7020000 0.5772990
S 3
1 108.7020000 0.1431860
2 43.1553000 0.6244650
3 18.1079000 0.2833660
S 1
1 5.5600900 1.0000000
S 1
1 2.1318300 1.0000000
S 1
1 0.4204030 1.0000000
S 1
1 0.1360450 1.0000000
P 4
1 495.0400000 0.0083090
2 117.2210000 0.0640240
3 37.7749000 0.2776140
4 14.0584000 0.7450760
P 2
1 5.5657400 0.6137120
2 2.2629700 0.4438180
P 1
1 0.8079940 1.0000000
P 1
1 0.2774600 1.0000000
P 1
1 0.0771410 1.0000000
S 1
1 0.0405000 1.0000000
P 1
1 0.0405000 1.0000000
D 1
1 0.6500000 1.0000000
CHLORINE
S 6
1 105819.0000000 0.0007380
2 15872.0000000 0.0057180
3 3619.6500000 0.0294950
4 1030.8000000 0.1172860
5 339.9080000 0.3629490
6 124.5380000 0.5841490
S 3
1 124.5380000 0.1341770
2 49.5135000 0.6242500
3 20.8056000 0.2917560
S 1
1 6.5834600 1.0000000
S 1
1 2.5646800 1.0000000
S 1
1 0.5597630 1.0000000
S 1
1 0.1832730 1.0000000
P 5
1 589.7760000 0.0023910
2 139.8490000 0.0185040
3 45.1413000 0.0813770
4 16.8733000 0.2215520
5 6.7411000 0.7725690
P 2
1 6.7411000 -1.5722440
2 2.7715200 0.9923890
P 1
1 1.0238700 1.0000000
P 1
1 0.3813680 1.0000000
P 1
1 0.1094370 1.0000000
S 1
1 0.0483000 1.0000000
P 1
1 0.0483000 1.0000000
D 1
1 0.7500000 1.0000000
ARGON
S 6
1 118022.3800000 0.0007470
2 17683.5410000 0.0057900
3 4027.7657000 0.0299190
4 1145.3977000 0.1192060
5 377.1637500 0.3690280
6 138.1596900 0.5764590
S 3
1 138.1596900 0.1439270
2 54.9891170 0.6229380
3 23.1706670 0.2839640
S 1
1 7.3778600 1.0000000
S 1
1 2.9236880 1.0000000
S 1
1 0.6504050 1.0000000
S 1
1 0.2328250 1.0000000
P 5
1 663.0620100 0.0030820
2 157.0928100 0.0241650
3 50.2311000 0.1082230
4 18.6353450 0.2941920
5 7.4465370 0.6878620
P 2
1 7.4465370 -0.1214482
2 3.0956980 0.1632370
P 1
1 1.1064630 1.0000000
P 1
1 0.4156010 1.0000000
P 1
1 0.1454490 1.0000000
S 1
1 0.0600000 1.0000000
P 1
1 0.0600000 1.0000000
D 1
1 0.8500000 1.0000000
POTASSIUM
S 6
1 182594.0000000 0.000227747
2 27369.0000000 0.00176640
3 6229.1700000 0.00919497
4 1764.5800000 0.03745510
5 577.0510000 0.12204500
6 210.2490000 0.29899000
S 2
1 82.6178000 0.4051470
2 33.2332000 0.2925320
S 1
1 8.1064900 1.0000000
S 1
1 3.3340300 1.0000000
S 1
1 0.8455440 1.0000000
S 1
1 0.3282160 1.0000000
S 1
1 0.0364035 1.0000000
S 1
1 0.0176463 1.0000000
P 3
1 891.0540000 0.00218429
2 211.0160000 0.0175891
3 67.6714000 0.0817775
P 3
1 25.2715000 0.2456560
2 10.1390000 0.4339840
3 4.2018600 0.3623770
P 1
1 1.6250700 1.0000000
P 1
1 0.6437700 1.0000000
P 1
1 0.2461300 1.0000000
P 1
1 0.0454400 1.0000000
P 1
1 0.0161600 1.0000000
S 1
1 0.0047000 1.0000000
P 1
1 0.0047000 1.0000000
D 3
1 13.3700000 0.0316016
2 3.4210000 0.1568790
3 1.0630000 0.3905820
D 1
1 0.2290000 1.0000000
CALCIUM
S 6
1 202699.0000000 0.000222964
2 30382.5000000 0.00172932
3 6915.0800000 0.00900226
4 1959.0200000 0.0366699
5 640.9360000 0.1194100
6 233.9770000 0.2918250
S 2
1 92.2892000 0.4044150
2 37.2545000 0.2963130
S 1
1 9.1319800 1.0000000
S 1
1 3.8177900 1.0000000
S 1
1 1.0493500 1.0000000
S 1
1 0.4286600 1.0000000
S 1
1 0.0628226 1.0000000
S 1
1 0.0260162 1.0000000
P 3
1 1019.7600000 0.00205986
2 241.5960000 0.01665010
3 77.6370000 0.07776460
P 3
1 29.1154000 0.2418060
2 11.7626000 0.4325780
3 4.9228900 0.3673250
P 1
1 1.9064500 1.0000000
P 1
1 0.7369000 1.0000000
P 1
1 0.2764200 1.0000000
P 1
1 0.0602700 1.0000000
P 1
1 0.0179100 1.0000000
S 1
1 0.0071000 1.0000000
P 1
1 0.0071000 1.0000000
D 3
1 15.0800000 0.0368947
2 3.9260000 0.1778200
3 1.2330000 0.4255130
D 1
1 0.2600000 1.0000000

703
basis/6-311+g_star Normal file
View File

@ -0,0 +1,703 @@
HYDROGEN
S 3
1 33.86500 0.0254938
2 5.094790 0.190373
3 1.158790 0.852161
S 1
1 0.325840 1.000000
S 1
1 0.102741 1.000000
HELIUM
S 3
1 98.12430 0.0287452
2 14.76890 0.208061
3 3.318830 0.837635
S 1
1 0.874047 1.000000
S 1
1 0.244564 1.000000
LITHIUM
S 6
1 900.4600000 0.00228704
2 134.4330000 0.0176350
3 30.4365000 0.0873434
4 8.6263900 0.2809770
5 2.4833200 0.6587410
6 0.3031790 0.1187120
S 3
1 4.8689000 0.0933293
2 0.8569240 0.9430450
3 0.2432270 -0.0027983
P 3
1 4.8689000 0.0327661
2 0.8569240 0.1597920
3 0.2432270 0.8856670
S 1
1 0.0635070 1.0000000
P 1
1 0.0635070 1.0000000
S 1
1 0.0243683 1.0000000
P 1
1 0.0243683 1.0000000
S 1
1 0.0074000 1.0000000
P 1
1 0.0074000 1.0000000
D 1
1 0.2000000 1.0000000
BERYLLIUM
S 6
1 1682.8000000 0.00228574
2 251.7150000 0.0175938
3 57.4116000 0.0863315
4 16.5171000 0.2818350
5 4.8536400 0.6405940
6 0.6268630 0.1444670
S 3
1 8.3093800 0.1086210
2 1.7407500 0.9273010
3 0.4858160 -0.0029717
P 3
1 8.3093800 0.0361344
2 1.7407500 0.2169580
3 0.4858160 0.8418390
S 1
1 0.1636130 1.0000000
P 1
1 0.1636130 1.0000000
S 1
1 0.0567285 1.0000000
P 1
1 0.0567285 1.0000000
S 1
1 0.0207000 1.0000000
P 1
1 0.0207000 1.0000000
D 1
1 0.2550000 1.0000000
BORON
S 6
1 2858.8900000 0.00215375
2 428.1400000 0.0165823
3 97.5282000 0.0821870
4 27.9693000 0.2766180
5 8.2157700 0.6293160
6 1.1127800 0.1737700
S 3
1 13.2415000 0.1174430
2 3.0016600 0.9180020
3 0.9128560 -0.0026510
P 3
1 13.2415000 0.0418100
2 3.0016600 0.2365750
3 0.9128560 0.8162140
S 1
1 0.3154540 1.0000000
P 1
1 0.3154540 1.0000000
S 1
1 0.0988563 1.0000000
P 1
1 0.0988563 1.0000000
S 1
1 0.0315000 1.0000000
P 1
1 0.0315000 1.0000000
D 1
1 0.4010000 1.0000000
CARBON
S 6
1 4563.2400000 0.00196665
2 682.0240000 0.0152306
3 154.9730000 0.0761269
4 44.4553000 0.2608010
5 13.0290000 0.6164620
6 1.8277300 0.2210060
S 3
1 20.9642000 0.1146600
2 4.8033100 0.9199990
3 1.4593300 -0.0030307
P 3
1 20.9642000 0.0402487
2 4.8033100 0.2375940
3 1.4593300 0.8158540
S 1
1 0.4834560 1.0000000
P 1
1 0.4834560 1.0000000
S 1
1 0.1455850 1.0000000
P 1
1 0.1455850 1.0000000
S 1
1 0.0438000 1.0000000
P 1
1 0.0438000 1.0000000
D 1
1 0.6260000 1.0000000
NITROGEN
S 6
1 6293.4800000 0.00196979
2 949.0440000 0.0149613
3 218.7760000 0.0735006
4 63.6916000 0.2489370
5 18.8282000 0.6024600
6 2.7202300 0.2562020
S 3
1 30.6331000 0.1119060
2 7.0261400 0.9216660
3 2.1120500 -0.0025692
P 3
1 30.6331000 0.0383119
2 7.0261400 0.2374030
3 2.1120500 0.8175920
S 1
1 0.6840090 1.0000000
P 1
1 0.6840090 1.0000000
S 1
1 0.2008780 1.0000000
P 1
1 0.2008780 1.0000000
S 1
1 0.0639000 1.0000000
P 1
1 0.0639000 1.0000000
D 1
1 0.9130000 1.0000000
OXYGEN
S 6
1 8588.5000000 0.00189515
2 1297.2300000 0.0143859
3 299.2960000 0.0707320
4 87.3771000 0.2400010
5 25.6789000 0.5947970
6 3.7400400 0.2808020
S 3
1 42.1175000 0.1138890
2 9.6283700 0.9208110
3 2.8533200 -0.0032745
P 3
1 42.1175000 0.0365114
2 9.6283700 0.2371530
3 2.8533200 0.8197020
S 1
1 0.9056610 1.0000000
P 1
1 0.9056610 1.0000000
S 1
1 0.2556110 1.0000000
P 1
1 0.2556110 1.0000000
S 1
1 0.0845000 1.0000000
P 1
1 0.0845000 1.0000000
D 1
1 1.2920000 1.0000000
FLUORINE
S 6
1 11427.1000000 0.00180093
2 1722.3500000 0.0137419
3 395.7460000 0.0681334
4 115.1390000 0.2333250
5 33.6026000 0.5890860
6 4.9190100 0.2995050
S 3
1 55.4441000 0.1145360
2 12.6323000 0.9205120
3 3.7175600 -0.0033780
P 3
1 55.4441000 0.0354609
2 12.6323000 0.2374510
3 3.7175600 0.8204580
S 1
1 1.1654500 1.0000000
P 1
1 1.1654500 1.0000000
S 1
1 0.3218920 1.0000000
P 1
1 0.3218920 1.0000000
S 1
1 0.1076000 1.0000000
P 1
1 0.1076000 1.0000000
D 1
1 1.7500000 1.0000000
NEON
S 6
1 13995.7000000 0.00183276
2 2117.1000000 0.0138827
3 490.4250000 0.0680687
4 143.8330000 0.2313280
5 41.9265000 0.5858900
6 6.1568400 0.3058830
S 3
1 69.1211000 0.1191490
2 15.8350000 0.9173750
3 4.6732600 -0.0040584
P 3
1 69.1211000 0.0356574
2 15.8350000 0.2394770
3 4.6732600 0.8184610
S 1
1 1.4575600 1.0000000
P 1
1 1.4575600 1.0000000
S 1
1 0.3970570 1.0000000
P 1
1 0.3970570 1.0000000
S 1
1 0.1300000 1.0000000
P 1
1 0.1300000 1.0000000
D 1
1 2.3040000 1.0000000
SODIUM
S 6
1 36166.4000000 0.0010320
2 5372.5800000 0.0080710
3 1213.2100000 0.0421290
4 339.6230000 0.1697890
5 109.5530000 0.5146210
6 38.7773000 0.3798170
S 3
1 38.7773000 0.3747620
2 14.5759000 0.5757690
3 5.2699300 0.1129330
S 1
1 1.8277700 1.0000000
S 1
1 0.6199480 1.0000000
S 1
1 0.0572400 1.0000000
S 1
1 0.0240480 1.0000000
P 4
1 144.6450000 0.0114850
2 33.9074000 0.0823830
3 10.6285000 0.3196580
4 3.8238900 0.7012950
P 2
1 1.4442900 0.6385060
2 0.5526210 0.4253650
P 1
1 0.1887200 1.0000000
P 1
1 0.0465010 1.0000000
P 1
1 0.0162850 1.0000000
S 1
1 0.0076000 1.0000000
P 1
1 0.0076000 1.0000000
D 1
1 0.1750000 1.0000000
MAGNESIUM
S 6
1 43866.5000000 0.0009180
2 6605.3700000 0.0070470
3 1513.2600000 0.0359410
4 432.3170000 0.1414610
5 142.1490000 0.4267640
6 51.3983000 0.4979750
S 3
1 51.3983000 0.2513550
2 19.9196000 0.6186710
3 8.0247400 0.1884170
S 1
1 2.5081700 1.0000000
S 1
1 0.8715310 1.0000000
S 1
1 0.1081880 1.0000000
S 1
1 0.0401300 1.0000000
P 4
1 193.8540000 0.0101880
2 45.4420000 0.0753600
3 14.1864000 0.3074190
4 5.0575100 0.7175750
P 2
1 1.8886100 0.6673390
2 0.7226520 0.3946490
P 1
1 0.2364170 1.0000000
P 1
1 0.0933580 1.0000000
P 1
1 0.0348090 1.0000000
S 1
1 0.0146000 1.0000000
P 1
1 0.0146000 1.0000000
D 1
1 0.1750000 1.0000000
ALUMINUM
S 6
1 54866.4890000 0.0008390
2 8211.7665000 0.0065270
3 1866.1761000 0.0336660
4 531.1293400 0.1329020
5 175.1179700 0.4012660
6 64.0055000 0.5313380
S 3
1 64.0055000 0.2023050
2 25.2925070 0.6247900
3 10.5349100 0.2274390
S 1
1 3.2067110 1.0000000
S 1
1 1.1525550 1.0000000
S 1
1 0.1766780 1.0000000
S 1
1 0.0652370 1.0000000
P 4
1 259.2836200 0.0094480
2 61.0768700 0.0709740
3 19.3032370 0.2956360
4 7.0108820 0.7282190
P 2
1 2.6738650 0.6444670
2 1.0365960 0.4174130
P 1
1 0.3168190 1.0000000
P 1
1 0.1142570 1.0000000
P 1
1 0.0413970 1.0000000
S 1
1 0.0318000 1.0000000
P 1
1 0.0318000 1.0000000
D 1
1 0.3250000 1.0000000
SILICON
S 6
1 69379.2300000 0.0007570
2 10354.9400000 0.0059320
3 2333.8796000 0.0310880
4 657.1429500 0.1249670
5 214.3011300 0.3868970
6 77.6291680 0.5548880
S 3
1 77.6291680 0.1778810
2 30.6308070 0.6277650
3 12.8012950 0.2476230
S 1
1 3.9268660 1.0000000
S 1
1 1.4523430 1.0000000
S 1
1 0.2562340 1.0000000
S 1
1 0.0942790 1.0000000
P 4
1 335.4831900 0.0088660
2 78.9003660 0.0682990
3 24.9881500 0.2909580
4 9.2197110 0.7321170
P 2
1 3.6211400 0.6198790
2 1.4513100 0.4391480
P 1
1 0.5049770 1.0000000
P 1
1 0.1863170 1.0000000
P 1
1 0.0654320 1.0000000
S 1
1 0.0331000 1.0000000
P 1
1 0.0331000 1.0000000
D 1
1 0.4500000 1.0000000
PHOSPHORUS
S 6
1 77492.4000000 0.0007810
2 11605.8000000 0.0060680
3 2645.9600000 0.0311600
4 754.9760000 0.1234310
5 248.7550000 0.3782090
6 91.1565000 0.5632620
S 3
1 91.1565000 0.1602550
2 36.2257000 0.6276470
3 15.2113000 0.2638490
S 1
1 4.7941700 1.0000000
S 1
1 1.8079300 1.0000000
S 1
1 0.3568160 1.0000000
S 1
1 0.1147830 1.0000000
P 4
1 384.8430000 0.0092060
2 90.5521000 0.0698740
3 29.1339000 0.2924700
4 10.8862000 0.7281030
P 2
1 4.3525900 0.6283490
2 1.7770600 0.4280440
P 1
1 0.6970050 1.0000000
P 1
1 0.2535320 1.0000000
P 1
1 0.0684930 1.0000000
S 1
1 0.0348000 1.0000000
P 1
1 0.0348000 1.0000000
D 1
1 0.5500000 1.0000000
SULFUR
S 6
1 93413.4000000 0.0007430
2 13961.7000000 0.0057930
3 3169.9100000 0.0299540
4 902.4560000 0.1190280
5 297.1580000 0.3684320
6 108.7020000 0.5772990
S 3
1 108.7020000 0.1431860
2 43.1553000 0.6244650
3 18.1079000 0.2833660
S 1
1 5.5600900 1.0000000
S 1
1 2.1318300 1.0000000
S 1
1 0.4204030 1.0000000
S 1
1 0.1360450 1.0000000
P 4
1 495.0400000 0.0083090
2 117.2210000 0.0640240
3 37.7749000 0.2776140
4 14.0584000 0.7450760
P 2
1 5.5657400 0.6137120
2 2.2629700 0.4438180
P 1
1 0.8079940 1.0000000
P 1
1 0.2774600 1.0000000
P 1
1 0.0771410 1.0000000
S 1
1 0.0405000 1.0000000
P 1
1 0.0405000 1.0000000
D 1
1 0.6500000 1.0000000
CHLORINE
S 6
1 105819.0000000 0.0007380
2 15872.0000000 0.0057180
3 3619.6500000 0.0294950
4 1030.8000000 0.1172860
5 339.9080000 0.3629490
6 124.5380000 0.5841490
S 3
1 124.5380000 0.1341770
2 49.5135000 0.6242500
3 20.8056000 0.2917560
S 1
1 6.5834600 1.0000000
S 1
1 2.5646800 1.0000000
S 1
1 0.5597630 1.0000000
S 1
1 0.1832730 1.0000000
P 5
1 589.7760000 0.0023910
2 139.8490000 0.0185040
3 45.1413000 0.0813770
4 16.8733000 0.2215520
5 6.7411000 0.7725690
P 2
1 6.7411000 -1.5722440
2 2.7715200 0.9923890
P 1
1 1.0238700 1.0000000
P 1
1 0.3813680 1.0000000
P 1
1 0.1094370 1.0000000
S 1
1 0.0483000 1.0000000
P 1
1 0.0483000 1.0000000
D 1
1 0.7500000 1.0000000
ARGON
S 6
1 118022.3800000 0.0007470
2 17683.5410000 0.0057900
3 4027.7657000 0.0299190
4 1145.3977000 0.1192060
5 377.1637500 0.3690280
6 138.1596900 0.5764590
S 3
1 138.1596900 0.1439270
2 54.9891170 0.6229380
3 23.1706670 0.2839640
S 1
1 7.3778600 1.0000000
S 1
1 2.9236880 1.0000000
S 1
1 0.6504050 1.0000000
S 1
1 0.2328250 1.0000000
P 5
1 663.0620100 0.0030820
2 157.0928100 0.0241650
3 50.2311000 0.1082230
4 18.6353450 0.2941920
5 7.4465370 0.6878620
P 2
1 7.4465370 -0.1214482
2 3.0956980 0.1632370
P 1
1 1.1064630 1.0000000
P 1
1 0.4156010 1.0000000
P 1
1 0.1454490 1.0000000
S 1
1 0.0600000 1.0000000
P 1
1 0.0600000 1.0000000
D 1
1 0.8500000 1.0000000
POTASSIUM
S 6
1 182594.0000000 0.000227747
2 27369.0000000 0.00176640
3 6229.1700000 0.00919497
4 1764.5800000 0.03745510
5 577.0510000 0.12204500
6 210.2490000 0.29899000
S 2
1 82.6178000 0.4051470
2 33.2332000 0.2925320
S 1
1 8.1064900 1.0000000
S 1
1 3.3340300 1.0000000
S 1
1 0.8455440 1.0000000
S 1
1 0.3282160 1.0000000
S 1
1 0.0364035 1.0000000
S 1
1 0.0176463 1.0000000
P 3
1 891.0540000 0.00218429
2 211.0160000 0.0175891
3 67.6714000 0.0817775
P 3
1 25.2715000 0.2456560
2 10.1390000 0.4339840
3 4.2018600 0.3623770
P 1
1 1.6250700 1.0000000
P 1
1 0.6437700 1.0000000
P 1
1 0.2461300 1.0000000
P 1
1 0.0454400 1.0000000
P 1
1 0.0161600 1.0000000
S 1
1 0.0047000 1.0000000
P 1
1 0.0047000 1.0000000
D 3
1 13.3700000 0.0316016
2 3.4210000 0.1568790
3 1.0630000 0.3905820
D 1
1 0.2290000 1.0000000
CALCIUM
S 6
1 202699.0000000 0.000222964
2 30382.5000000 0.00172932
3 6915.0800000 0.00900226
4 1959.0200000 0.0366699
5 640.9360000 0.1194100
6 233.9770000 0.2918250
S 2
1 92.2892000 0.4044150
2 37.2545000 0.2963130
S 1
1 9.1319800 1.0000000
S 1
1 3.8177900 1.0000000
S 1
1 1.0493500 1.0000000
S 1
1 0.4286600 1.0000000
S 1
1 0.0628226 1.0000000
S 1
1 0.0260162 1.0000000
P 3
1 1019.7600000 0.00205986
2 241.5960000 0.01665010
3 77.6370000 0.07776460
P 3
1 29.1154000 0.2418060
2 11.7626000 0.4325780
3 4.9228900 0.3673250
P 1
1 1.9064500 1.0000000
P 1
1 0.7369000 1.0000000
P 1
1 0.2764200 1.0000000
P 1
1 0.0602700 1.0000000
P 1
1 0.0179100 1.0000000
S 1
1 0.0071000 1.0000000
P 1
1 0.0071000 1.0000000
D 3
1 15.0800000 0.0368947
2 3.9260000 0.1778200
3 1.2330000 0.4255130
D 1
1 0.2600000 1.0000000

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@ -0,0 +1,965 @@
HYDROGEN
S 3
1 33.8650000 0.0254938
2 5.0947900 0.1903730
3 1.1587900 0.8521610
S 1
1 0.3258400 1.0000000
S 1
1 0.1027410 1.0000000
HELIUM
S 3
1 98.1243000 0.0287452
2 14.7689000 0.2080610
3 3.3188300 0.8376350
S 1
1 0.8740470 1.0000000
S 1
1 0.2445640 1.0000000
LITHIUM
S 6
1 900.4600000 0.00228704
2 134.4330000 0.0176350
3 30.4365000 0.0873434
4 8.6263900 0.2809770
5 2.4833200 0.6587410
6 0.3031790 0.1187120
S 3
1 4.8689000 0.0933293
2 0.8569240 0.9430450
3 0.2432270 -0.0027983
P 3
1 4.8689000 0.0327661
2 0.8569240 0.1597920
3 0.2432270 0.8856670
S 1
1 0.0635070 1.0000000
P 1
1 0.0635070 1.0000000
S 1
1 0.0243683 1.0000000
P 1
1 0.0243683 1.0000000
BERYLLIUM
S 6
1 1682.8000000 0.00228574
2 251.7150000 0.0175938
3 57.4116000 0.0863315
4 16.5171000 0.2818350
5 4.8536400 0.6405940
6 0.6268630 0.1444670
S 3
1 8.3093800 0.1086210
2 1.7407500 0.9273010
3 0.4858160 -0.0029717
P 3
1 8.3093800 0.0361344
2 1.7407500 0.2169580
3 0.4858160 0.8418390
S 1
1 0.1636130 1.0000000
P 1
1 0.1636130 1.0000000
S 1
1 0.0567285 1.0000000
P 1
1 0.0567285 1.0000000
BORON
S 6
1 2858.8900000 0.00215375
2 428.1400000 0.0165823
3 97.5282000 0.0821870
4 27.9693000 0.2766180
5 8.2157700 0.6293160
6 1.1127800 0.1737700
S 3
1 13.2415000 0.1174430
2 3.0016600 0.9180020
3 0.9128560 -0.0026510
P 3
1 13.2415000 0.0418100
2 3.0016600 0.2365750
3 0.9128560 0.8162140
S 1
1 0.3154540 1.0000000
P 1
1 0.3154540 1.0000000
S 1
1 0.0988563 1.0000000
P 1
1 0.0988563 1.0000000
CARBON
S 6
1 4563.2400000 0.00196665
2 682.0240000 0.0152306
3 154.9730000 0.0761269
4 44.4553000 0.2608010
5 13.0290000 0.6164620
6 1.8277300 0.2210060
S 3
1 20.9642000 0.1146600
2 4.8033100 0.9199990
3 1.4593300 -0.0030307
P 3
1 20.9642000 0.0402487
2 4.8033100 0.2375940
3 1.4593300 0.8158540
S 1
1 0.4834560 1.0000000
P 1
1 0.4834560 1.0000000
S 1
1 0.1455850 1.0000000
P 1
1 0.1455850 1.0000000
NITROGEN
S 6
1 6293.4800000 0.00196979
2 949.0440000 0.0149613
3 218.7760000 0.0735006
4 63.6916000 0.2489370
5 18.8282000 0.6024600
6 2.7202300 0.2562020
S 3
1 30.6331000 0.1119060
2 7.0261400 0.9216660
3 2.1120500 -0.0025692
P 3
1 30.6331000 0.0383119
2 7.0261400 0.2374030
3 2.1120500 0.8175920
S 1
1 0.6840090 1.0000000
P 1
1 0.6840090 1.0000000
S 1
1 0.2008780 1.0000000
P 1
1 0.2008780 1.0000000
OXYGEN
S 6
1 8588.5000000 0.00189515
2 1297.2300000 0.0143859
3 299.2960000 0.0707320
4 87.3771000 0.2400010
5 25.6789000 0.5947970
6 3.7400400 0.2808020
S 3
1 42.1175000 0.1138890
2 9.6283700 0.9208110
3 2.8533200 -0.0032745
P 3
1 42.1175000 0.0365114
2 9.6283700 0.2371530
3 2.8533200 0.8197020
S 1
1 0.9056610 1.0000000
P 1
1 0.9056610 1.0000000
S 1
1 0.2556110 1.0000000
P 1
1 0.2556110 1.0000000
FLUORINE
S 6
1 11427.1000000 0.00180093
2 1722.3500000 0.0137419
3 395.7460000 0.0681334
4 115.1390000 0.2333250
5 33.6026000 0.5890860
6 4.9190100 0.2995050
S 3
1 55.4441000 0.1145360
2 12.6323000 0.9205120
3 3.7175600 -0.0033780
P 3
1 55.4441000 0.0354609
2 12.6323000 0.2374510
3 3.7175600 0.8204580
S 1
1 1.1654500 1.0000000
P 1
1 1.1654500 1.0000000
S 1
1 0.3218920 1.0000000
P 1
1 0.3218920 1.0000000
NEON
S 6
1 13995.7000000 0.00183276
2 2117.1000000 0.0138827
3 490.4250000 0.0680687
4 143.8330000 0.2313280
5 41.9265000 0.5858900
6 6.1568400 0.3058830
S 3
1 69.1211000 0.1191490
2 15.8350000 0.9173750
3 4.6732600 -0.0040584
P 3
1 69.1211000 0.0356574
2 15.8350000 0.2394770
3 4.6732600 0.8184610
S 1
1 1.4575600 1.0000000
P 1
1 1.4575600 1.0000000
S 1
1 0.3970570 1.0000000
P 1
1 0.3970570 1.0000000
SODIUM
S 6
1 36166.4000000 0.0010320
2 5372.5800000 0.0080710
3 1213.2100000 0.0421290
4 339.6230000 0.1697890
5 109.5530000 0.5146210
6 38.7773000 0.3798170
S 3
1 38.7773000 0.3747620
2 14.5759000 0.5757690
3 5.2699300 0.1129330
S 1
1 1.8277700 1.0000000
S 1
1 0.6199480 1.0000000
S 1
1 0.0572400 1.0000000
S 1
1 0.0240480 1.0000000
P 4
1 144.6450000 0.0114850
2 33.9074000 0.0823830
3 10.6285000 0.3196580
4 3.8238900 0.7012950
P 2
1 1.4442900 0.6385060
2 0.5526210 0.4253650
P 1
1 0.1887200 1.0000000
P 1
1 0.0465010 1.0000000
P 1
1 0.0162850 1.0000000
MAGNESIUM
S 6
1 43866.5000000 0.0009180
2 6605.3700000 0.0070470
3 1513.2600000 0.0359410
4 432.3170000 0.1414610
5 142.1490000 0.4267640
6 51.3983000 0.4979750
S 3
1 51.3983000 0.2513550
2 19.9196000 0.6186710
3 8.0247400 0.1884170
S 1
1 2.5081700 1.0000000
S 1
1 0.8715310 1.0000000
S 1
1 0.1081880 1.0000000
S 1
1 0.0401300 1.0000000
P 4
1 193.8540000 0.0101880
2 45.4420000 0.0753600
3 14.1864000 0.3074190
4 5.0575100 0.7175750
P 2
1 1.8886100 0.6673390
2 0.7226520 0.3946490
P 1
1 0.2364170 1.0000000
P 1
1 0.0933580 1.0000000
P 1
1 0.0348090 1.0000000
ALUMINUM
S 6
1 54866.4890000 0.0008390
2 8211.7665000 0.0065270
3 1866.1761000 0.0336660
4 531.1293400 0.1329020
5 175.1179700 0.4012660
6 64.0055000 0.5313380
S 3
1 64.0055000 0.2023050
2 25.2925070 0.6247900
3 10.5349100 0.2274390
S 1
1 3.2067110 1.0000000
S 1
1 1.1525550 1.0000000
S 1
1 0.1766780 1.0000000
S 1
1 0.0652370 1.0000000
P 4
1 259.2836200 0.0094480
2 61.0768700 0.0709740
3 19.3032370 0.2956360
4 7.0108820 0.7282190
P 2
1 2.6738650 0.6444670
2 1.0365960 0.4174130
P 1
1 0.3168190 1.0000000
P 1
1 0.1142570 1.0000000
P 1
1 0.0413970 1.0000000
SILICON
S 6
1 69379.2300000 0.0007570
2 10354.9400000 0.0059320
3 2333.8796000 0.0310880
4 657.1429500 0.1249670
5 214.3011300 0.3868970
6 77.6291680 0.5548880
S 3
1 77.6291680 0.1778810
2 30.6308070 0.6277650
3 12.8012950 0.2476230
S 1
1 3.9268660 1.0000000
S 1
1 1.4523430 1.0000000
S 1
1 0.2562340 1.0000000
S 1
1 0.0942790 1.0000000
P 4
1 335.4831900 0.0088660
2 78.9003660 0.0682990
3 24.9881500 0.2909580
4 9.2197110 0.7321170
P 2
1 3.6211400 0.6198790
2 1.4513100 0.4391480
P 1
1 0.5049770 1.0000000
P 1
1 0.1863170 1.0000000
P 1
1 0.0654320 1.0000000
PHOSPHORUS
S 6
1 77492.4000000 0.0007810
2 11605.8000000 0.0060680
3 2645.9600000 0.0311600
4 754.9760000 0.1234310
5 248.7550000 0.3782090
6 91.1565000 0.5632620
S 3
1 91.1565000 0.1602550
2 36.2257000 0.6276470
3 15.2113000 0.2638490
S 1
1 4.7941700 1.0000000
S 1
1 1.8079300 1.0000000
S 1
1 0.3568160 1.0000000
S 1
1 0.1147830 1.0000000
P 4
1 384.8430000 0.0092060
2 90.5521000 0.0698740
3 29.1339000 0.2924700
4 10.8862000 0.7281030
P 2
1 4.3525900 0.6283490
2 1.7770600 0.4280440
P 1
1 0.6970050 1.0000000
P 1
1 0.2535320 1.0000000
P 1
1 0.0684930 1.0000000
SULFUR
S 6
1 93413.4000000 0.0007430
2 13961.7000000 0.0057930
3 3169.9100000 0.0299540
4 902.4560000 0.1190280
5 297.1580000 0.3684320
6 108.7020000 0.5772990
S 3
1 108.7020000 0.1431860
2 43.1553000 0.6244650
3 18.1079000 0.2833660
S 1
1 5.5600900 1.0000000
S 1
1 2.1318300 1.0000000
S 1
1 0.4204030 1.0000000
S 1
1 0.1360450 1.0000000
P 4
1 495.0400000 0.0083090
2 117.2210000 0.0640240
3 37.7749000 0.2776140
4 14.0584000 0.7450760
P 2
1 5.5657400 0.6137120
2 2.2629700 0.4438180
P 1
1 0.8079940 1.0000000
P 1
1 0.2774600 1.0000000
P 1
1 0.0771410 1.0000000
CHLORINE
S 6
1 105819.0000000 0.0007380
2 15872.0000000 0.0057180
3 3619.6500000 0.0294950
4 1030.8000000 0.1172860
5 339.9080000 0.3629490
6 124.5380000 0.5841490
S 3
1 124.5380000 0.1341770
2 49.5135000 0.6242500
3 20.8056000 0.2917560
S 1
1 6.5834600 1.0000000
S 1
1 2.5646800 1.0000000
S 1
1 0.5597630 1.0000000
S 1
1 0.1832730 1.0000000
P 5
1 589.7760000 0.0023910
2 139.8490000 0.0185040
3 45.1413000 0.0813770
4 16.8733000 0.2215520
5 6.7411000 0.7725690
P 2
1 6.7411000 -1.5722440
2 2.7715200 0.9923890
P 1
1 1.0238700 1.0000000
P 1
1 0.3813680 1.0000000
P 1
1 0.1094370 1.0000000
ARGON
S 6
1 118022.3800000 0.0007470
2 17683.5410000 0.0057900
3 4027.7657000 0.0299190
4 1145.3977000 0.1192060
5 377.1637500 0.3690280
6 138.1596900 0.5764590
S 3
1 138.1596900 0.1439270
2 54.9891170 0.6229380
3 23.1706670 0.2839640
S 1
1 7.3778600 1.0000000
S 1
1 2.9236880 1.0000000
S 1
1 0.6504050 1.0000000
S 1
1 0.2328250 1.0000000
P 5
1 663.0620100 0.0030820
2 157.0928100 0.0241650
3 50.2311000 0.1082230
4 18.6353450 0.2941920
5 7.4465370 0.6878620
P 2
1 7.4465370 -0.1214482
2 3.0956980 0.1632370
P 1
1 1.1064630 1.0000000
P 1
1 0.4156010 1.0000000
P 1
1 0.1454490 1.0000000
POTASSIUM
S 6
1 182594.0000000 0.000227747
2 27369.0000000 0.00176640
3 6229.1700000 0.00919497
4 1764.5800000 0.03745510
5 577.0510000 0.12204500
6 210.2490000 0.29899000
S 2
1 82.6178000 0.4051470
2 33.2332000 0.2925320
S 1
1 8.1064900 1.0000000
S 1
1 3.3340300 1.0000000
S 1
1 0.8455440 1.0000000
S 1
1 0.3282160 1.0000000
S 1
1 0.0364035 1.0000000
S 1
1 0.0176463 1.0000000
P 3
1 891.0540000 0.00218429
2 211.0160000 0.0175891
3 67.6714000 0.0817775
P 3
1 25.2715000 0.2456560
2 10.1390000 0.4339840
3 4.2018600 0.3623770
P 1
1 1.6250700 1.0000000
P 1
1 0.6437700 1.0000000
P 1
1 0.2461300 1.0000000
P 1
1 0.0454400 1.0000000
P 1
1 0.0161600 1.0000000
D 3
1 13.3700000 0.0316016
2 3.4210000 0.1568790
3 1.0630000 0.3905820
CALCIUM
S 6
1 202699.0000000 0.000222964
2 30382.5000000 0.00172932
3 6915.0800000 0.00900226
4 1959.0200000 0.0366699
5 640.9360000 0.1194100
6 233.9770000 0.2918250
S 2
1 92.2892000 0.4044150
2 37.2545000 0.2963130
S 1
1 9.1319800 1.0000000
S 1
1 3.8177900 1.0000000
S 1
1 1.0493500 1.0000000
S 1
1 0.4286600 1.0000000
S 1
1 0.0628226 1.0000000
S 1
1 0.0260162 1.0000000
P 3
1 1019.7600000 0.00205986
2 241.5960000 0.01665010
3 77.6370000 0.07776460
P 3
1 29.1154000 0.2418060
2 11.7626000 0.4325780
3 4.9228900 0.3673250
P 1
1 1.9064500 1.0000000
P 1
1 0.7369000 1.0000000
P 1
1 0.2764200 1.0000000
P 1
1 0.0602700 1.0000000
P 1
1 0.0179100 1.0000000
D 3
1 15.0800000 0.0368947
2 3.9260000 0.1778200
3 1.2330000 0.4255130
GALLIUM
S 6
1 333800.0000000 0.00083805
2 50100.0000000 0.00624660
3 11510.0000000 0.03202800
4 3292.0000000 0.12709000
5 1089.0000000 0.39092000
6 401.0000000 0.54643000
S 3
1 401.0000000 0.1807800
2 159.3000000 0.6223900
3 67.5900000 0.2495300
S 1
1 24.8900000 1.0000000
S 1
1 10.6800000 1.0000000
S 1
1 3.3860000 1.0000000
S 1
1 1.3310000 1.0000000
S 1
1 0.1853000 1.0000000
S 1
1 0.0662100 1.0000000
P 3
1 2181.0000000 0.0225650
2 515.4000000 0.1836300
3 164.8000000 0.8598400
P 3
1 61.4000000 0.3434500
2 24.9800000 0.5056100
3 10.4400000 0.2622400
P 3
1 10.4400000 0.0641300
2 5.5890000 0.3788400
3 2.5170000 0.6166900
P 1
1 1.0530000 1.0000000
P 1
1 0.2915000 1.0000000
P 1
1 0.1210000 1.0000000
P 1
1 0.0399000 1.0000000
D 4
1 67.1400000 0.0309570
2 18.9400000 0.1748000
3 6.4260000 0.4434600
4 2.1900000 0.5670200
D 1
1 0.6725000 1.0000000
GERMANIUM
S 6
1 357500.0000000 0.00083898
2 53670.0000000 0.00626350
3 12300.0000000 0.03203600
4 3512.0000000 0.12751000
5 1161.0000000 0.39165000
6 428.0000000 0.54528000
S 3
1 428.0000000 0.1816000
2 170.0000000 0.6224800
3 72.0600000 0.2487200
S 1
1 26.6900000 1.0000000
S 1
1 11.5000000 1.0000000
S 1
1 3.7420000 1.0000000
S 1
1 1.4990000 1.0000000
S 1
1 0.2292000 1.0000000
S 1
1 0.0867500 1.0000000
P 3
1 2345.0000000 0.0225140
2 554.2000000 0.1833500
3 177.3000000 0.8600300
P 3
1 66.1300000 0.3430600
2 26.9000000 0.5065200
3 11.2600000 0.2614100
P 3
1 11.2600000 0.0672460
2 6.1160000 0.3723800
3 2.8190000 0.6176300
P 1
1 1.2110000 1.0000000
P 1
1 0.3568000 1.0000000
P 1
1 0.1621000 1.0000000
P 1
1 0.0608400 1.0000000
D 4
1 74.8400000 0.0303900
2 21.2300000 0.1731900
3 7.2970000 0.4409000
4 2.5490000 0.5653200
D 1
1 0.8165000 1.0000000
ARSENIC
S 6
1 381200.0000000 0.00083327
2 57240.0000000 0.00621980
3 13110.0000000 0.03203000
4 3743.0000000 0.12729000
5 1238.0000000 0.39132000
6 456.3000000 0.54581000
S 3
1 456.3000000 0.1809700
2 181.4000000 0.6218000
3 77.0700000 0.2498800
S 1
1 28.5700000 1.0000000
S 1
1 12.3600000 1.0000000
S 1
1 4.1170000 1.0000000
S 1
1 1.6780000 1.0000000
S 1
1 0.2761000 1.0000000
S 1
1 0.1105000 1.0000000
P 3
1 2528.0000000 0.0222710
2 597.3000000 0.1819900
3 190.7000000 0.8613300
P 3
1 70.9600000 0.3433800
2 28.8900000 0.5059800
3 12.1300000 0.2612800
P 3
1 12.1300000 0.0685360
2 6.5330000 0.3828200
3 3.0280000 0.6059900
P 1
1 1.3440000 1.0000000
P 1
1 0.5823000 1.0000000
P 1
1 0.2558000 1.0000000
P 1
1 0.0865100 1.0000000
D 4
1 86.0500000 0.0279890
2 24.4900000 0.1650200
3 8.4420000 0.4373600
4 2.9810000 0.5725500
D 1
1 0.9790000 1.0000000
SELENIUM
S 6
1 405400.0000000 0.0008310
2 60850.0000000 0.0062331
3 13910.0000000 0.0320710
4 3989.0000000 0.1263600
5 1324.0000000 0.3889900
6 487.0000000 0.5488800
S 3
1 487.0000000 0.1796300
2 193.2000000 0.6222700
3 82.1900000 0.2506700
S 1
1 30.5200000 1.0000000
S 1
1 13.2500000 1.0000000
S 1
1 4.5100000 1.0000000
S 1
1 1.8670000 1.0000000
S 1
1 0.3190000 1.0000000
S 1
1 0.1120000 1.0000000
P 3
1 2706.0000000 0.0221460
2 638.6000000 0.1818000
3 203.8000000 0.8615500
P 3
1 75.9600000 0.3424300
2 31.0200000 0.5054100
3 13.0500000 0.2623700
P 3
1 13.0500000 0.0701630
2 6.9860000 0.3841900
3 3.2340000 0.6036800
P 1
1 1.4750000 1.0000000
P 1
1 0.7275000 1.0000000
P 1
1 0.2869000 1.0000000
P 1
1 0.0967900 1.0000000
D 4
1 99.0100000 0.0255960
2 28.4100000 0.1545900
3 9.8630000 0.4287800
4 3.5140000 0.5862000
D 1
1 1.1710000 1.0000000
BROMINE
S 6
1 439700.0000000 0.0008130
2 66030.0000000 0.0062850
3 15140.0000000 0.0319200
4 4317.0000000 0.1288000
5 1414.0000000 0.3946000
6 523.9000000 0.5413000
S 3
1 523.9000000 0.1831000
2 207.7000000 0.6176000
3 86.5400000 0.2538000
S 1
1 30.5200000 1.0000000
S 1
1 12.9800000 1.0000000
S 1
1 4.4120000 1.0000000
S 1
1 1.8620000 1.0000000
S 1
1 0.3932000 1.0000000
S 1
1 0.1400000 1.0000000
P 3
1 2957.0000000 0.0222600
2 700.3000000 0.1802000
3 224.6000000 0.8624000
P 3
1 82.5900000 0.3440000
2 33.1900000 0.5071000
3 14.2000000 0.2590000
P 3
1 14.2000000 0.0796500
2 7.4380000 0.3734000
3 3.5260000 0.6049000
P 1
1 1.5950000 1.0000000
P 1
1 0.8462000 1.0000000
P 1
1 0.3186000 1.0000000
P 1
1 0.1096000 1.0000000
D 4
1 134.8000000 0.0183100
2 36.3900000 0.1350000
3 12.1600000 0.4261000
4 4.3410000 0.6043000
D 1
1 1.5350000 1.0000000
KRYPTON
S 6
1 456200.0000000 0.0008111
2 68460.0000000 0.0062552
3 15650.0000000 0.0320220
4 4500.0000000 0.1254600
5 1497.0000000 0.3866600
6 550.5000000 0.5518800
S 3
1 550.5000000 0.1771100
2 218.2000000 0.6224800
3 92.9700000 0.2527900
S 1
1 34.5900000 1.0000000
S 1
1 15.1200000 1.0000000
S 1
1 5.3460000 1.0000000
S 1
1 2.2730000 1.0000000
S 1
1 0.4841000 1.0000000
S 1
1 0.1849000 1.0000000
P 3
1 3074.0000000 0.0219980
2 725.7000000 0.1810200
3 231.5000000 0.8622300
P 3
1 86.4500000 0.3415500
2 35.5500000 0.5025500
3 15.1400000 0.2645300
P 3
1 15.1400000 0.0716700
2 8.0310000 0.3970800
3 3.7990000 0.5876200
P 1
1 1.8490000 1.0000000
P 1
1 0.8676000 1.0000000
P 1
1 0.3329000 1.0000000
P 1
1 0.1199000 1.0000000
D 4
1 122.5000000 0.0233770
2 35.3700000 0.1461000
3 12.3900000 0.4223000
4 4.4960000 0.5945200
D 1
1 1.5460000 1.0000000
IODINE
S 5
1 444750.0000000 0.0008900
2 66127.0000000 0.0069400
3 14815.0000000 0.0360900
4 4144.9000000 0.1356800
5 1361.2000000 0.3387800
S 2
1 508.4400000 0.4365900
2 209.5900000 0.1837500
S 1
1 81.9590000 1.0000000
S 1
1 36.8050000 1.0000000
S 1
1 13.4950000 1.0000000
S 1
1 6.8859000 1.0000000
S 1
1 2.5520000 1.0000000
S 1
1 1.2088000 1.0000000
S 1
1 0.2734000 1.0000000
S 1
1 0.1009000 1.0000000
P 4
1 2953.6000000 0.0122100
2 712.6100000 0.0858700
3 236.7100000 0.2949300
4 92.6310000 0.4784900
P 1
1 39.7320000 1.0000000
P 1
1 17.2730000 1.0000000
P 1
1 7.9570000 1.0000000
P 1
1 3.1529000 1.0000000
P 1
1 1.3328000 1.0000000
P 1
1 0.4947000 1.0000000
P 1
1 0.2160000 1.0000000
P 1
1 0.0829300 1.0000000
D 3
1 261.9500000 0.0314400
2 76.7340000 0.1902800
3 27.5510000 0.4724700
D 1
1 10.6060000 1.0000000
D 1
1 3.4217000 1.0000000
D 1
1 1.1370000 1.0000000

385
basis/6-311g_2df_2pd Normal file
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@ -0,0 +1,385 @@
HYDROGEN
S 3
1 33.8650000 0.0254938
2 5.0947900 0.1903730
3 1.1587900 0.8521610
S 1
1 0.3258400 1.0000000
S 1
1 0.1027410 1.0000000
P 1
1 1.5000000 1.0000000
P 1
1 0.3750000 1.0000000
D 1
1 1.0000000 1.0000000
HELIUM
S 3
1 98.1243000 0.0287452
2 14.7689000 0.2080610
3 3.3188300 0.8376350
S 1
1 0.8740470 1.0000000
S 1
1 0.2445640 1.0000000
P 1
1 1.5000000 1.0000000
P 1
1 0.3750000 1.0000000
D 1
1 2.0000000 1.0000000
LITHIUM
S 6
1 900.4600000 0.00228704
2 134.4330000 0.0176350
3 30.4365000 0.0873434
4 8.6263900 0.2809770
5 2.4833200 0.6587410
6 0.3031790 0.1187120
S 3
1 4.8689000 0.0933293
2 0.8569240 0.9430450
3 0.2432270 -0.0027983
P 3
1 4.8689000 0.0327661
2 0.8569240 0.1597920
3 0.2432270 0.8856670
S 1
1 0.0635070 1.0000000
P 1
1 0.0635070 1.0000000
S 1
1 0.0243683 1.0000000
P 1
1 0.0243683 1.0000000
D 1
1 0.4000000 1.0000000
D 1
1 0.1000000 1.0000000
F 1
1 0.1500000 1.0000000
BERYLLIUM
S 6
1 1682.8000000 0.00228574
2 251.7150000 0.0175938
3 57.4116000 0.0863315
4 16.5171000 0.2818350
5 4.8536400 0.6405940
6 0.6268630 0.1444670
S 3
1 8.3093800 0.1086210
2 1.7407500 0.9273010
3 0.4858160 -0.0029717
P 3
1 8.3093800 0.0361344
2 1.7407500 0.2169580
3 0.4858160 0.8418390
S 1
1 0.1636130 1.0000000
P 1
1 0.1636130 1.0000000
S 1
1 0.0567285 1.0000000
P 1
1 0.0567285 1.0000000
D 1
1 0.5100000 1.0000000
D 1
1 0.1275000 1.0000000
F 1
1 0.2600000 1.0000000
BORON
S 6
1 2858.8900000 0.00215375
2 428.1400000 0.0165823
3 97.5282000 0.0821870
4 27.9693000 0.2766180
5 8.2157700 0.6293160
6 1.1127800 0.1737700
S 3
1 13.2415000 0.1174430
2 3.0016600 0.9180020
3 0.9128560 -0.0026510
P 3
1 13.2415000 0.0418100
2 3.0016600 0.2365750
3 0.9128560 0.8162140
S 1
1 0.3154540 1.0000000
P 1
1 0.3154540 1.0000000
S 1
1 0.0988563 1.0000000
P 1
1 0.0988563 1.0000000
D 1
1 0.8020000 1.0000000
D 1
1 0.2005000 1.0000000
F 1
1 0.5000000 1.0000000
CARBON
S 6
1 4563.2400000 0.00196665
2 682.0240000 0.0152306
3 154.9730000 0.0761269
4 44.4553000 0.2608010
5 13.0290000 0.6164620
6 1.8277300 0.2210060
S 3
1 20.9642000 0.1146600
2 4.8033100 0.9199990
3 1.4593300 -0.0030307
P 3
1 20.9642000 0.0402487
2 4.8033100 0.2375940
3 1.4593300 0.8158540
S 1
1 0.4834560 1.0000000
P 1
1 0.4834560 1.0000000
S 1
1 0.1455850 1.0000000
P 1
1 0.1455850 1.0000000
D 1
1 1.2520000 1.0000000
D 1
1 0.3130000 1.0000000
F 1
1 0.8000000 1.0000000
NITROGEN
S 6
1 6293.4800000 0.00196979
2 949.0440000 0.0149613
3 218.7760000 0.0735006
4 63.6916000 0.2489370
5 18.8282000 0.6024600
6 2.7202300 0.2562020
S 3
1 30.6331000 0.1119060
2 7.0261400 0.9216660
3 2.1120500 -0.0025692
P 3
1 30.6331000 0.0383119
2 7.0261400 0.2374030
3 2.1120500 0.8175920
S 1
1 0.6840090 1.0000000
P 1
1 0.6840090 1.0000000
S 1
1 0.2008780 1.0000000
P 1
1 0.2008780 1.0000000
D 1
1 1.8260000 1.0000000
D 1
1 0.4565000 1.0000000
F 1
1 1.0000000 1.0000000
OXYGEN
S 6
1 8588.5000000 0.00189515
2 1297.2300000 0.0143859
3 299.2960000 0.0707320
4 87.3771000 0.2400010
5 25.6789000 0.5947970
6 3.7400400 0.2808020
S 3
1 42.1175000 0.1138890
2 9.6283700 0.9208110
3 2.8533200 -0.0032745
P 3
1 42.1175000 0.0365114
2 9.6283700 0.2371530
3 2.8533200 0.8197020
S 1
1 0.9056610 1.0000000
P 1
1 0.9056610 1.0000000
S 1
1 0.2556110 1.0000000
P 1
1 0.2556110 1.0000000
D 1
1 2.5840000 1.0000000
D 1
1 0.6460000 1.0000000
F 1
1 1.4000000 1.0000000
FLUORINE
S 6
1 11427.1000000 0.00180093
2 1722.3500000 0.0137419
3 395.7460000 0.0681334
4 115.1390000 0.2333250
5 33.6026000 0.5890860
6 4.9190100 0.2995050
S 3
1 55.4441000 0.1145360
2 12.6323000 0.9205120
3 3.7175600 -0.0033780
P 3
1 55.4441000 0.0354609
2 12.6323000 0.2374510
3 3.7175600 0.8204580
S 1
1 1.1654500 1.0000000
P 1
1 1.1654500 1.0000000
S 1
1 0.3218920 1.0000000
P 1
1 0.3218920 1.0000000
D 1
1 3.5000000 1.0000000
D 1
1 0.8750000 1.0000000
F 1
1 1.8500000 1.0000000
NEON
S 6
1 13995.7000000 0.00183276
2 2117.1000000 0.0138827
3 490.4250000 0.0680687
4 143.8330000 0.2313280
5 41.9265000 0.5858900
6 6.1568400 0.3058830
S 3
1 69.1211000 0.1191490
2 15.8350000 0.9173750
3 4.6732600 -0.0040584
P 3
1 69.1211000 0.0356574
2 15.8350000 0.2394770
3 4.6732600 0.8184610
S 1
1 1.4575600 1.0000000
P 1
1 1.4575600 1.0000000
S 1
1 0.3970570 1.0000000
P 1
1 0.3970570 1.0000000
D 1
1 4.6080000 1.0000000
D 1
1 1.1520000 1.0000000
F 1
1 2.5000000 1.0000000
POTASSIUM
S 6
1 182594.0000000 0.000227747
2 27369.0000000 0.00176640
3 6229.1700000 0.00919497
4 1764.5800000 0.03745510
5 577.0510000 0.12204500
6 210.2490000 0.29899000
S 2
1 82.6178000 0.4051470
2 33.2332000 0.2925320
S 1
1 8.1064900 1.0000000
S 1
1 3.3340300 1.0000000
S 1
1 0.8455440 1.0000000
S 1
1 0.3282160 1.0000000
S 1
1 0.0364035 1.0000000
S 1
1 0.0176463 1.0000000
P 3
1 891.0540000 0.00218429
2 211.0160000 0.0175891
3 67.6714000 0.0817775
P 3
1 25.2715000 0.2456560
2 10.1390000 0.4339840
3 4.2018600 0.3623770
P 1
1 1.6250700 1.0000000
P 1
1 0.6437700 1.0000000
P 1
1 0.2461300 1.0000000
P 1
1 0.0454400 1.0000000
P 1
1 0.0161600 1.0000000
D 3
1 13.3700000 0.0316016
2 3.4210000 0.1568790
3 1.0630000 0.3905820
D 1
1 0.4580000 1.0000000
D 1
1 0.1145000 1.0000000
F 1
1 1.1100000 1.0000000
CALCIUM
S 6
1 202699.0000000 0.000222964
2 30382.5000000 0.00172932
3 6915.0800000 0.00900226
4 1959.0200000 0.0366699
5 640.9360000 0.1194100
6 233.9770000 0.2918250
S 2
1 92.2892000 0.4044150
2 37.2545000 0.2963130
S 1
1 9.1319800 1.0000000
S 1
1 3.8177900 1.0000000
S 1
1 1.0493500 1.0000000
S 1
1 0.4286600 1.0000000
S 1
1 0.0628226 1.0000000
S 1
1 0.0260162 1.0000000
P 3
1 1019.7600000 0.00205986
2 241.5960000 0.01665010
3 77.6370000 0.07776460
P 3
1 29.1154000 0.2418060
2 11.7626000 0.4325780
3 4.9228900 0.3673250
P 1
1 1.9064500 1.0000000
P 1
1 0.7369000 1.0000000
P 1
1 0.2764200 1.0000000
P 1
1 0.0602700 1.0000000
P 1
1 0.0179100 1.0000000
D 3
1 15.0800000 0.0368947
2 3.9260000 0.1778200
3 1.2330000 0.4255130
D 1
1 0.5200000 1.0000000
D 1
1 0.1300000 1.0000000
F 1
1 1.3300000 1.0000000

1113
basis/6-31g Normal file
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File diff suppressed because it is too large Load Diff

75
basis/6-31g-Blaudeau Normal file
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@ -0,0 +1,75 @@
POTASSIUM
S 6
1 31478.7000000 0.00398387
2 4726.8900000 0.03050180
3 1075.4300000 0.15073800
4 303.3980000 0.51912900
5 98.3271000 1.03670000
6 33.6362000 0.76399000
S 3
1 65.6392000 -0.2824260
2 7.3162600 1.6914900
3 2.8902600 1.2965300
S 3
1 4.5459700 -0.00763436
2 0.7040410 0.0256357
3 0.2826690 0.0166069
S 1
1 0.0290582 1.0000000
S 1
1 0.0121116 1.0000000
P 5
1 361.2250000 0.0209065
2 84.6702000 0.1504360
3 26.4691000 0.5544010
4 9.2658100 1.0409000
5 3.3423400 0.6782530
P 3
1 1.6354600 0.2409020
2 0.8319680 0.2994240
3 0.4368420 0.4460790
P 1
1 0.1798370 1.0000000
D 3
1 10.0700000 0.0480790
2 2.5580000 0.2162930
3 0.7968000 0.4236910
CALCIUM
S 6
1 35138.7000000 0.00394825
2 5276.4100000 0.0302342
3 1200.4700000 0.1495200
4 338.7180000 0.5159730
5 109.8540000 1.0339500
6 37.6089000 0.7693790
S 3
1 73.1080000 -0.2826850
2 8.2407700 1.6796100
3 3.2959800 1.2803800
S 3
1 5.2341800 -0.00768686
2 0.8418720 0.02538240
3 0.3651030 0.01651220
S 1
1 0.0512224 1.0000000
S 1
1 0.0198250 1.0000000
P 5
1 413.1130000 0.0203270
2 96.9358000 0.1473030
3 30.3722000 0.5488720
4 10.6848000 1.0440700
5 3.8821300 0.6865350
P 3
1 1.9099100 0.2686680
2 0.9793250 0.2901870
3 0.5497690 0.4429810
P 1
1 0.2312330 1.0000000
D 3
1 10.9700000 0.0600080
2 2.7680000 0.2610100
3 0.8281000 0.5086920

609
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@ -0,0 +1,609 @@
HYDROGEN
S 3
1 18.7311370 0.03349460
2 2.8253937 0.23472695
3 0.6401217 0.81375733
S 1
1 0.1612778 1.0000000
P 1
1 3.0000000 1.0000000
P 1
1 0.7500000 1.0000000
P 1
1 0.1875000 1.0000000
D 1
1 1.0000000 1.0000000
HELIUM
S 3
1 38.4216340 0.0237660
2 5.7780300 0.1546790
3 1.2417740 0.4696300
S 1
1 0.2979640 1.0000000
P 1
1 3.0000000 1.0000000
P 1
1 0.7500000 1.0000000
P 1
1 0.1875000 1.0000000
D 1
1 2.0000000 1.0000000
LITHIUM
S 6
1 642.4189200 0.0021426
2 96.7985150 0.0162089
3 22.0911210 0.0773156
4 6.2010703 0.2457860
5 1.9351177 0.4701890
6 0.6367358 0.3454708
S 3
1 2.3249184 -0.0350917
2 0.6324306 -0.1912328
3 0.0790534 1.0839878
P 3
1 2.3249184 0.0089415
2 0.6324306 0.1410095
3 0.0790534 0.9453637
S 1
1 0.0359620 1.0000000
P 1
1 0.0359620 1.0000000
D 1
1 0.8000000 1.0000000
D 1
1 0.2000000 1.0000000
D 1
1 0.0500000 1.0000000
F 1
1 0.1500000 1.0000000
BERYLLIUM
S 6
1 1264.5857000 0.0019448
2 189.9368100 0.0148351
3 43.1590890 0.0720906
4 12.0986630 0.2371542
5 3.8063232 0.4691987
6 1.2728903 0.3565202
S 3
1 3.1964631 -0.1126487
2 0.7478133 -0.2295064
3 0.2199663 1.1869167
P 3
1 3.1964631 0.0559802
2 0.7478133 0.2615506
3 0.2199663 0.7939723
S 1
1 0.0823099 1.0000000
P 1
1 0.0823099 1.0000000
D 1
1 1.0200000 1.0000000
D 1
1 0.2550000 1.0000000
D 1
1 0.0637500 1.0000000
F 1
1 0.2600000 1.0000000
BORON
S 6
1 2068.8823000 0.0018663
2 310.6495700 0.0142515
3 70.6830330 0.0695516
4 19.8610800 0.2325729
5 6.2993048 0.4670787
6 2.1270270 0.3634314
S 3
1 4.7279710 -0.1303938
2 1.1903377 -0.1307889
3 0.3594117 1.1309444
P 3
1 4.7279710 0.0745976
2 1.1903377 0.3078467
3 0.3594117 0.7434568
S 1
1 0.1267512 1.0000000
P 1
1 0.1267512 1.0000000
D 1
1 1.6040000 1.0000000
D 1
1 0.4010000 1.0000000
D 1
1 0.1002500 1.0000000
F 1
1 0.5000000 1.0000000
CARBON
S 6
1 3047.5249000 0.0018347
2 457.3695100 0.0140373
3 103.9486900 0.0688426
4 29.2101550 0.2321844
5 9.2866630 0.4679413
6 3.1639270 0.3623120
S 3
1 7.8682724 -0.1193324
2 1.8812885 -0.1608542
3 0.5442493 1.1434564
P 3
1 7.8682724 0.0689991
2 1.8812885 0.3164240
3 0.5442493 0.7443083
S 1
1 0.1687144 1.0000000
P 1
1 0.1687144 1.0000000
D 1
1 2.5040000 1.0000000
D 1
1 0.6260000 1.0000000
D 1
1 0.1565000 1.0000000
F 1
1 0.8000000 1.0000000
NITROGEN
S 6
1 4173.5110000 0.0018348
2 627.4579000 0.0139950
3 142.9021000 0.0685870
4 40.2343300 0.2322410
5 12.8202100 0.4690700
6 4.3904370 0.3604550
S 3
1 11.6263580 -0.1149610
2 2.7162800 -0.1691180
3 0.7722180 1.1458520
P 3
1 11.6263580 0.0675800
2 2.7162800 0.3239070
3 0.7722180 0.7408950
S 1
1 0.2120313 1.0000000
P 1
1 0.2120313 1.0000000
D 1
1 3.6520000 1.0000000
D 1
1 0.9130000 1.0000000
D 1
1 0.2282500 1.0000000
F 1
1 1.0000000 1.0000000
OXYGEN
S 6
1 5484.6717000 0.0018311
2 825.2349500 0.0139501
3 188.0469600 0.0684451
4 52.9645000 0.2327143
5 16.8975700 0.4701930
6 5.7996353 0.3585209
S 3
1 15.5396160 -0.1107775
2 3.5999336 -0.1480263
3 1.0137618 1.1307670
P 3
1 15.5396160 0.0708743
2 3.5999336 0.3397528
3 1.0137618 0.7271586
S 1
1 0.2700058 1.0000000
P 1
1 0.2700058 1.0000000
D 1
1 5.1600000 1.0000000
D 1
1 1.2920000 1.0000000
D 1
1 0.3225000 1.0000000
F 1
1 1.4000000 1.0000000
FLUORINE
S 6
1 7001.7130900 0.0018196169
2 1051.3660900 0.0139160796
3 239.2856900 0.0684053245
4 67.3974453 0.233185760
5 21.5199573 0.471267439
6 7.40310130 0.356618546
S 3
1 20.8479528 -0.1085070
2 4.8083083 -0.1464517
3 1.3440699 1.1286886
P 3
1 20.8479528 0.0716287
2 4.8083083 0.3459121
3 1.3440699 0.7224700
S 1
1 0.3581514 1.0000000
P 1
1 0.3581514 1.0000000
D 1
1 7.0000000 1.0000000
D 1
1 1.7500000 1.0000000
D 1
1 0.4375000 1.0000000
F 1
1 1.8500000 1.0000000
NEON
S 6
1 8425.8515300 0.0018843481
2 1268.5194000 0.0143368994
3 289.6214140 0.0701096233
4 81.8590040 0.2373732660
5 26.2515079 0.4730071260
6 9.09472051 0.3484012410
S 3
1 26.5321310 -0.1071183
2 6.1017550 -0.1461638
3 1.6962715 1.1277735
P 3
1 26.5321310 0.0719096
2 6.1017550 0.3495134
3 1.6962715 0.7199405
S 1
1 0.4458187 1.0000000
P 1
1 0.4458187 1.0000000
D 1
1 9.2160000 1.0000000
D 1
1 2.3040000 1.0000000
D 1
1 0.5760000 1.0000000
F 1
1 2.5000000 1.0000000
SODIUM
S 6
1 9993.2000000 0.0019377
2 1499.8900000 0.0148070
3 341.9510000 0.0727060
4 94.6797000 0.2526290
5 29.7345000 0.4932420
6 10.0063000 0.3131690
S 6
1 150.9630000 -0.0035421
2 35.5878000 -0.0439590
3 11.1683000 -0.1097521
4 3.9020100 0.1873980
5 1.3817700 0.6466990
6 0.4663820 0.3060580
P 6
1 150.9630000 0.0050017
2 35.5878000 0.0355110
3 11.1683000 0.1428250
4 3.9020100 0.3386200
5 1.3817700 0.4515790
6 0.4663820 0.2732710
S 3
1 0.4979660 -0.2485030
2 0.0843530 -0.1317040
3 0.0666350 1.2335200
P 3
1 0.4979660 -0.0230230
2 0.0843530 0.9503590
3 0.0666350 0.0598580
S 1
1 0.0259544 1.0000000
P 1
1 0.0259544 1.0000000
D 1
1 0.7000000 1.0000000
D 1
1 0.1750000 1.0000000
D 1
1 0.0437500 1.0000000
F 1
1 0.1500000 1.0000000
MAGNESIUM
S 6
1 11722.8000000 0.0019778
2 1759.9300000 0.0151140
3 400.8460000 0.0739110
4 112.8070000 0.2491910
5 35.9997000 0.4879280
6 12.1828000 0.3196620
S 6
1 189.1800000 -0.0032372
2 45.2119000 -0.0410080
3 14.3563000 -0.1126000
4 5.1388600 0.1486330
5 1.9065200 0.6164970
6 0.7058870 0.3648290
P 6
1 189.1800000 0.0049281
2 45.2119000 0.0349890
3 14.3563000 0.1407250
4 5.1388600 0.3336420
5 1.9065200 0.4449400
6 0.7058870 0.2692540
S 3
1 0.9293400 -0.2122900
2 0.2690350 -0.1079850
3 0.1173790 1.1758400
P 3
1 0.9293400 -0.0224190
2 0.2690350 0.1922700
3 0.1173790 0.8461810
S 1
1 0.0421061 1.0000000
P 1
1 0.0421061 1.0000000
D 1
1 0.7000000 1.0000000
D 1
1 0.1750000 1.0000000
D 1
1 0.0437500 1.0000000
F 1
1 0.2000000 1.0000000
ALUMINUM
S 6
1 13983.1000000 0.00194267
2 2098.7500000 0.0148599
3 477.7050000 0.0728494
4 134.3600000 0.2468300
5 42.8709000 0.4872580
6 14.5189000 0.3234960
S 6
1 239.6680000 -0.0029262
2 57.4419000 -0.0374080
3 18.2859000 -0.1144870
4 6.5991400 0.1156350
5 2.4904900 0.6125950
6 0.9445400 0.3937990
P 6
1 239.6680000 0.0046029
2 57.4419000 0.0331990
3 18.2859000 0.1362820
4 6.5991400 0.3304760
5 2.4904900 0.4491460
6 0.9445400 0.2657040
S 3
1 1.2779000 -0.2276060
2 0.3975900 0.0014458
3 0.1600950 1.0927900
P 3
1 1.2779000 -0.0175130
2 0.3975900 0.2445330
3 0.1600950 0.8049340
S 1
1 0.0556577 1.0000000
P 1
1 0.0556577 1.0000000
D 1
1 1.3000000 1.0000000
D 1
1 0.3250000 1.0000000
D 1
1 0.0812500 1.0000000
F 1
1 0.2500000 1.0000000
SILICON
S 6
1 16115.9000000 0.00195948
2 2425.5800000 0.01492880
3 553.8670000 0.07284780
4 156.3400000 0.24613000
5 50.0683000 0.48591400
6 17.0178000 0.32500200
S 6
1 292.7180000 -0.0027809
2 69.8731000 -0.0357146
3 22.3363000 -0.1149850
4 8.1503900 0.0935634
5 3.1345800 0.6030170
6 1.2254300 0.4189590
P 6
1 292.7180000 0.0044383
2 69.8731000 0.0326679
3 22.3363000 0.1347210
4 8.1503900 0.3286780
5 3.1345800 0.4496400
6 1.2254300 0.2613720
S 3
1 1.7273800 -0.2446300
2 0.5729220 0.0043157
3 0.2221920 1.0981800
P 3
1 1.7273800 -0.0177951
2 0.5729220 0.2535390
3 0.2221920 0.8006690
S 1
1 0.0778369 1.0000000
P 1
1 0.0778369 1.0000000
D 1
1 1.8000000 1.0000000
D 1
1 0.4500000 1.0000000
D 1
1 0.1125000 1.0000000
F 1
1 0.3200000 1.0000000
PHOSPHORUS
S 6
1 19413.3000000 0.0018516
2 2909.4200000 0.0142062
3 661.3640000 0.0699995
4 185.7590000 0.2400790
5 59.1943000 0.4847620
6 20.0310000 0.3352000
S 6
1 339.4780000 -0.0027822
2 81.0101000 -0.0360499
3 25.8780000 -0.1166310
4 9.4522100 0.0968328
5 3.6656600 0.6144180
6 1.4674600 0.4037980
P 6
1 339.4780000 0.0045646
2 81.0101000 0.0336936
3 25.8780000 0.1397550
4 9.4522100 0.3393620
5 3.6656600 0.4509210
6 1.4674600 0.2385860
S 3
1 2.1562300 -0.2529230
2 0.7489970 0.0328517
3 0.2831450 1.0812500
P 3
1 2.1562300 -0.0177653
2 0.7489970 0.2740580
3 0.2831450 0.7854210
S 1
1 0.0998317 1.0000000
P 1
1 0.0998317 1.0000000
D 1
1 2.2000000 1.0000000
D 1
1 0.5500000 1.0000000
D 1
1 0.1375000 1.0000000
F 1
1 0.4500000 1.0000000
SULFUR
S 6
1 21917.1000000 0.0018690
2 3301.4900000 0.0142300
3 754.1460000 0.0696960
4 212.7110000 0.2384870
5 67.9896000 0.4833070
6 23.0515000 0.3380740
S 6
1 423.7350000 -0.0023767
2 100.7100000 -0.0316930
3 32.1599000 -0.1133170
4 11.8079000 0.0560900
5 4.6311000 0.5922550
6 1.8702500 0.4550060
P 6
1 423.7350000 0.0040610
2 100.7100000 0.0306810
3 32.1599000 0.1304520
4 11.8079000 0.3272050
5 4.6311000 0.4528510
6 1.8702500 0.2560420
S 3
1 2.6158400 -0.2503740
2 0.9221670 0.0669570
3 0.3412870 1.0545100
P 3
1 2.6158400 -0.0145110
2 0.9221670 0.3102630
3 0.3412870 0.7544830
S 1
1 0.1171670 1.0000000
P 1
1 0.1171670 1.0000000
D 1
1 2.6000000 1.0000000
D 1
1 0.6500000 1.0000000
D 1
1 0.1625000 1.0000000
F 1
1 0.5500000 1.0000000
CHLORINE
S 6
1 25180.1000000 0.0018330
2 3780.3500000 0.0140340
3 860.4740000 0.0690970
4 242.1450000 0.2374520
5 77.3349000 0.4830340
6 26.2470000 0.3398560
S 6
1 491.7650000 -0.0022974
2 116.9840000 -0.0307140
3 37.4153000 -0.1125280
4 13.7834000 0.0450160
5 5.4521500 0.5893530
6 2.2258800 0.4652060
P 6
1 491.7650000 0.0039894
2 116.9840000 0.0303180
3 37.4153000 0.1298800
4 13.7834000 0.3279510
5 5.4521500 0.4535270
6 2.2258800 0.2521540
S 3
1 3.1864900 -0.2518300
2 1.1442700 0.0615890
3 0.4203770 1.0601800
P 3
1 3.1864900 -0.0142990
2 1.1442700 0.3235720
3 0.4203770 0.7435070
S 1
1 0.1426570 1.0000000
P 1
1 0.1426570 1.0000000
D 1
1 3.0000000 1.0000000
D 1
1 0.7500000 1.0000000
D 1
1 0.1875000 1.0000000
F 1
1 0.7000000 1.0000000
ARGON
S 6
1 28348.3000000 0.00182526
2 4257.6200000 0.01396860
3 969.8570000 0.06870730
4 273.2630000 0.23620400
5 87.3695000 0.48221400
6 29.6867000 0.34204300
S 6
1 575.8910000 -0.0021597
2 136.8160000 -0.0290775
3 43.8098000 -0.1108270
4 16.2094000 0.0276999
5 6.4608400 0.5776130
6 2.6511400 0.4886880
P 6
1 575.8910000 0.0038066
2 136.8160000 0.0292305
3 43.8098000 0.1264670
4 16.2094000 0.3235100
5 6.4608400 0.4548960
6 2.6511400 0.2566300
S 3
1 3.8602800 -0.2555920
2 1.4137300 0.0378066
3 0.5166460 1.0805600
P 3
1 3.8602800 -0.0159197
2 1.4137300 0.3246460
3 0.5166460 0.7439900
S 1
1 0.1738880 1.0000000
P 1
1 0.1738880 1.0000000
D 1
1 3.4000000 1.0000000
D 1
1 0.8500000 1.0000000
D 1
1 0.2125000 1.0000000
F 1
1 0.8500000 1.0000000

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79
basis/6-31g_star-Blaudeau Normal file
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POTASSIUM
S 6
1 31478.7000000 0.00398387
2 4726.8900000 0.03050180
3 1075.4300000 0.15073800
4 303.3980000 0.51912900
5 98.3271000 1.03670000
6 33.6362000 0.76399000
S 3
1 65.6392000 -0.2824260
2 7.3162600 1.6914900
3 2.8902600 1.2965300
S 3
1 4.5459700 -0.00763436
2 0.7040410 0.0256357
3 0.2826690 0.0166069
S 1
1 0.0290582 1.0000000
S 1
1 0.0121116 1.0000000
P 5
1 361.2250000 0.0209065
2 84.6702000 0.1504360
3 26.4691000 0.5544010
4 9.2658100 1.0409000
5 3.3423400 0.6782530
P 3
1 1.6354600 0.2409020
2 0.8319680 0.2994240
3 0.4368420 0.4460790
P 1
1 0.1798370 1.0000000
D 3
1 10.0700000 0.0480790
2 2.5580000 0.2162930
3 0.7968000 0.4236910
D 1
1 0.2350000 1.0000000
CALCIUM
S 6
1 35138.7000000 0.00394825
2 5276.4100000 0.0302342
3 1200.4700000 0.1495200
4 338.7180000 0.5159730
5 109.8540000 1.0339500
6 37.6089000 0.7693790
S 3
1 73.1080000 -0.2826850
2 8.2407700 1.6796100
3 3.2959800 1.2803800
S 3
1 5.2341800 -0.00768686
2 0.8418720 0.02538240
3 0.3651030 0.01651220
S 1
1 0.0512224 1.0000000
S 1
1 0.0198250 1.0000000
P 5
1 413.1130000 0.0203270
2 96.9358000 0.1473030
3 30.3722000 0.5488720
4 10.6848000 1.0440700
5 3.8821300 0.6865350
P 3
1 1.9099100 0.2686680
2 0.9793250 0.2901870
3 0.5497690 0.4429810
P 1
1 0.2312330 1.0000000
D 3
1 10.9700000 0.0600080
2 2.7680000 0.2610100
3 0.8281000 0.5086920
D 1
1 0.2160000 1.0000000

1173
basis/6-31g_star_star Normal file
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1291
basis/6zp Normal file
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590
basis/ano-pvdz_ecp_bfd Normal file
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LITHIUM
S 6
1 1.865990 0.005887
2 0.725995 -0.057751
3 0.309251 -0.111789
4 0.110313 0.361605
5 0.048874 -0.241554
6 0.021768 1.027902
S 6
1 1.865990 0.021568
2 0.725995 -0.162539
3 0.309251 0.000231
4 0.110313 0.104303
5 0.048874 2.112288
6 0.021768 -1.974803
S 1
1 0.028050 1.000000
P 3
1 1.534000 0.022786
2 0.274900 0.139102
3 0.073620 0.500375
STRONTIUM
S 9
1 12.537926 0.056019
2 9.644559 -0.319559
3 7.418891 0.496897
4 3.106116 -0.693521
5 0.731407 0.559915
6 0.421768 0.476488
7 0.236198 0.239153
8 0.057380 0.010270
9 0.023248 0.000444
S 9
1 12.537926 -0.009645
2 9.644559 0.074660
3 7.418891 -0.133872
4 3.106116 0.221481
5 0.731407 -0.178482
6 0.421768 -0.367483
7 0.236198 -0.143888
8 0.057380 0.819749
9 0.023248 0.378443
S 9
1 12.537926 -0.016059
2 9.644559 -0.036282
3 7.418891 0.162875
4 3.106116 -0.403863
5 0.731407 0.657318
6 0.421768 0.725036
7 0.236198 -0.864069
8 0.057380 -1.614344
9 0.023248 1.741258
P 8
1 8.031300 -0.027375
2 6.169712 0.134451
3 4.737447 -0.141446
4 2.557380 -0.288234
5 1.958905 0.251489
6 0.755919 0.484837
7 0.346062 0.478923
8 0.144393 0.116113
P 8
1 8.031300 -0.076563
2 6.169712 0.260116
3 4.737447 -0.361526
4 2.557380 1.223168
5 1.958905 -1.150741
6 0.755919 -0.648497
7 0.346062 0.005398
8 0.144393 1.027073
P 8
1 8.031300 0.054262
2 6.169712 -0.233234
3 4.737447 0.166259
4 2.557380 1.433437
5 1.958905 -1.749155
6 0.755919 -1.304300
7 0.346062 2.787813
8 0.144393 -1.637281
D 7
1 2.597486 -0.123249
2 2.259068 0.131478
3 0.851914 0.183936
4 0.374411 0.259131
5 0.151068 0.324639
6 0.058848 0.377687
7 0.022210 0.198546
D 7
1 2.597486 -0.393968
2 2.259068 0.421141
3 0.851914 0.667093
4 0.374411 0.283968
5 0.151068 -0.248146
6 0.058848 -0.332207
7 0.022210 -0.173660
S 1
1 0.018536 1.000000
P 1
1 0.206837 1.000000
D 1
1 0.434602 1.000000
MAGNESIUM
S 6
1 1.478260 0.044288
2 0.730245 -0.302453
3 0.310223 0.115083
4 0.092031 0.665354
5 0.043335 0.341308
6 0.019667 0.055695
S 6
1 1.478260 0.125665
2 0.730245 -0.856674
3 0.310223 1.205157
4 0.092031 1.223081
5 0.043335 -1.734563
6 0.019667 0.022266
P 6
1 1.152482 -0.033073
2 0.480621 -0.143375
3 0.284194 0.316043
4 0.114904 0.557585
5 0.060492 0.303614
6 0.018183 0.021914
S 1
1 0.039990 1.000000
RUBIDIUM
S 8
1 9.767225 -0.072358
2 7.513250 0.179488
3 2.694294 -0.499645
4 0.633389 0.414757
5 0.409050 0.499081
6 0.201657 0.319280
7 0.034640 0.005694
8 0.015189 -0.001424
S 8
1 9.767225 0.016043
2 7.513250 -0.042332
3 2.694294 0.132859
4 0.633389 -0.129005
5 0.409050 -0.204416
6 0.201657 -0.199195
7 0.034640 0.750685
8 0.015189 0.388186
S 8
1 9.767225 -0.085889
2 7.513250 0.238678
3 2.694294 -0.867484
4 0.633389 3.599294
5 0.409050 -1.879202
6 0.201657 -1.295026
7 0.034640 0.244264
8 0.015189 0.243444
P 7
1 6.343477 0.012668
2 4.879598 0.010587
3 3.131868 -0.146383
4 1.246199 0.088865
5 0.649813 0.443670
6 0.292612 0.483346
7 0.122257 0.137563
P 7
1 6.343477 0.028803
2 4.879598 -0.145777
3 3.131868 0.403476
4 1.246199 -0.503892
5 0.649813 -0.939167
6 0.292612 0.709793
7 0.122257 0.563643
P 7
1 6.343477 0.032476
2 4.879598 0.039075
3 3.131868 -0.486709
4 1.246199 1.556776
5 0.649813 -0.316928
6 0.292612 -1.802466
7 0.122257 1.538441
D 6
1 3.634479 -0.002835
2 0.636322 0.095349
3 0.192312 0.121831
4 0.052088 0.294960
5 0.016287 0.635141
6 0.005344 0.190060
D 6
1 3.634479 -0.018264
2 0.636322 0.870358
3 0.192312 0.202742
4 0.052088 -0.103526
5 0.016287 -0.156987
6 0.005344 -0.054265
S 1
1 0.398962 1.000000
P 1
1 0.248810 1.000000
D 1
1 0.376507 1.000000
HYDROGEN
S 6
1 6.359201 0.003784
2 3.546637 0.022388
3 1.493442 0.091414
4 0.551948 0.149980
5 0.207203 0.375784
6 0.079234 -0.098638
S 6
1 6.359201 0.001940
2 3.546637 -0.053797
3 1.493442 -0.088952
4 0.551948 -0.457785
5 0.207203 -0.291335
6 0.079234 -0.540688
S 1
1 0.122000 1.000000
P 1
1 0.727000 1.000000
BARIUM
S 9
1 7.668827 0.099903
2 5.899098 -0.539014
3 4.537768 0.789884
4 1.939767 -0.919853
5 0.485416 0.685412
6 0.316438 0.352069
7 0.191001 0.313113
8 0.046602 0.012071
9 0.019586 0.000195
S 9
1 7.668827 -0.020684
2 5.899098 0.142186
3 4.537768 -0.235880
4 1.939767 0.325146
5 0.485416 -0.241735
6 0.316438 -0.361947
7 0.191001 -0.195150
8 0.046602 0.854162
9 0.019586 0.372375
S 9
1 7.668827 -0.018216
2 5.899098 -0.083670
3 4.537768 0.274989
4 1.939767 -0.559768
5 0.485416 0.739773
6 0.316438 1.068059
7 0.191001 -1.183905
8 0.046602 -1.686402
9 0.019586 1.807458
P 8
1 5.748216 -0.007820
2 4.359494 0.025098
3 2.694811 0.130142
4 2.054688 -0.371710
5 1.325476 0.045562
6 0.533933 0.512549
7 0.252234 0.522043
8 0.106579 0.115212
P 8
1 5.748216 -0.070208
2 4.359494 0.228384
3 2.694811 -1.018839
4 2.054688 1.622011
5 1.325476 -0.723284
6 0.533933 -0.759934
7 0.252234 -0.102172
8 0.106579 1.116375
P 8
1 5.748216 -0.020008
2 4.359494 0.102486
3 2.694811 -1.184510
4 2.054688 2.482766
5 1.325476 -1.525193
6 0.533933 -1.791667
7 0.252234 3.163544
8 0.106579 -1.697757
D 7
1 1.291237 -0.081526
2 0.620118 0.242122
3 0.245894 0.363230
4 0.100378 0.363001
5 0.043471 0.279462
6 0.019366 0.080598
7 0.005614 0.001495
D 7
1 1.291237 -0.226381
2 0.620118 0.924147
3 0.245894 0.238044
4 0.100378 -0.428248
5 0.043471 -0.294578
6 0.019366 -0.098393
7 0.005614 0.000523
S 1
1 0.044672 1.000000
P 1
1 0.148023 1.000000
D 1
1 0.280688 1.000000
CESIUM
S 8
1 8.550325 -0.029241
2 5.842621 0.098301
3 1.648331 -0.489131
4 0.671392 -0.089889
5 0.400830 0.851669
6 0.172129 0.479902
7 0.027883 0.010125
8 0.012661 -0.003102
S 8
1 8.550325 0.007746
2 5.842621 -0.027891
3 1.648331 0.158615
4 0.671392 0.012978
5 0.400830 -0.331365
6 0.172129 -0.288264
7 0.027883 0.824514
8 0.012661 0.326060
S 8
1 8.550325 -0.090949
2 5.842621 0.250139
3 1.648331 -1.343357
4 0.671392 2.095624
5 0.400830 0.865253
6 0.172129 -2.085356
7 0.027883 0.323332
8 0.012661 0.213379
P 7
1 5.889092 -0.000325
2 3.217760 0.082741
3 2.244936 -0.211311
4 0.872867 -0.117777
5 0.570741 0.476090
6 0.245890 0.583238
7 0.102479 0.177461
P 7
1 5.889092 0.005847
2 3.217760 -0.189345
3 2.244936 0.461426
4 0.872867 0.084312
5 0.570741 -1.477717
6 0.245890 0.496504
7 0.102479 0.743335
P 7
1 5.889092 0.006016
2 3.217760 -0.338322
3 2.244936 0.938988
4 0.872867 -1.750300
5 0.570741 -0.125834
6 0.245890 2.355014
7 0.102479 -1.617844
D 6
1 2.495395 0.022198
2 1.888219 -0.045568
3 0.402947 0.182091
4 0.060596 0.380572
5 0.023404 0.370509
6 0.009039 0.408565
D 6
1 2.495395 0.017088
2 1.888219 -0.103040
3 0.402947 0.996033
4 0.060596 0.008025
5 0.023404 -0.220790
6 0.009039 -0.121410
S 1
1 0.070711 1.000000
P 1
1 0.172591 1.000000
D 1
1 0.227673 1.000000
CALCIUM
S 8
1 13.477361 -0.068812
2 10.366318 0.195841
3 4.451759 -0.499643
4 1.034535 0.486822
5 0.564680 0.488475
6 0.301117 0.248699
7 0.067769 0.012110
8 0.026665 0.000284
S 8
1 13.477361 0.015699
2 10.366318 -0.049635
3 4.451759 0.145436
4 1.034535 -0.147502
5 0.564680 -0.288572
6 0.301117 -0.173348
7 0.067769 0.762592
8 0.026665 0.417691
S 8
1 13.477361 -0.006948
2 10.366318 0.056970
3 4.451759 -0.266642
4 1.034535 0.537766
5 0.564680 0.557346
6 0.301117 -0.600386
7 0.067769 -1.666858
8 0.026665 1.730097
P 7
1 7.675629 0.027362
2 5.900655 -0.084484
3 2.665766 -0.076649
4 2.044642 0.276402
5 0.918736 0.457956
6 0.421800 0.386995
7 0.176537 0.089635
P 7
1 7.675629 -0.006243
2 5.900655 0.048318
3 2.665766 0.507648
4 2.044642 -1.036016
5 0.918736 -0.312149
6 0.421800 0.190137
7 0.176537 0.856880
P 7
1 7.675629 -0.143357
2 5.900655 0.357390
3 2.665766 -0.230640
4 2.044642 -0.669554
5 0.918736 -0.480028
6 0.421800 2.213388
7 0.176537 -1.590456
D 6
1 5.262963 0.040805
2 2.239047 0.180718
3 0.848828 0.299968
4 0.301758 0.306863
5 0.100864 0.372598
6 0.032751 0.268735
D 6
1 5.262963 0.038233
2 2.239047 0.386451
3 0.848828 0.541224
4 0.301758 -0.149400
5 0.100864 -0.398345
6 0.032751 -0.278415
S 1
1 0.026301 1.000000
P 1
1 0.027772 1.000000
D 1
1 0.053700 1.000000
SODIUM
S 6
1 1.478260 0.016543
2 0.730245 -0.070302
3 0.310223 -0.112523
4 0.092031 0.249490
5 0.043335 -0.049536
6 0.019667 0.919011
S 6
1 1.478260 0.047476
2 0.730245 -0.203137
3 0.310223 -0.054702
4 0.092031 0.305867
5 0.043335 1.913205
6 0.019667 -1.942172
P 6
1 1.191176 0.008098
2 0.688275 -0.046550
3 0.158308 -0.009617
4 0.094423 0.244709
5 0.036269 0.617743
6 0.014748 0.251068
S 1
1 0.023070 1.000000
BERYLLIUM
S 6
1 1.534946 0.031822
2 1.126766 -0.284692
3 0.791542 0.134293
4 0.178640 0.447713
5 0.073776 0.501301
6 0.032780 0.143845
S 6
1 1.534946 0.371714
2 1.126766 -1.460040
3 0.791542 1.125926
4 0.178640 1.598045
5 0.073776 -1.306671
6 0.032780 -0.328239
P 3
1 3.619000 0.029105
2 0.711000 0.169466
3 0.195100 0.512969
S 1
1 0.058900 1.000000
POTASSIUM
S 8
1 12.069048 -0.070763
2 9.279420 0.193428
3 3.843824 -0.493653
4 0.980495 0.365802
5 0.507987 0.597102
6 0.235140 0.269210
7 0.038580 0.004569
8 0.016566 -0.001158
S 8
1 12.069048 0.013322
2 9.279420 -0.039190
3 3.843824 0.111796
4 0.980495 -0.089775
5 0.507987 -0.205832
6 0.235140 -0.178814
7 0.038580 0.722698
8 0.016566 0.404078
S 8
1 12.069048 -0.070942
2 9.279420 0.237264
3 3.843824 -0.832982
4 0.980495 2.382744
5 0.507987 -0.673282
6 0.235140 -1.321024
7 0.038580 0.256722
8 0.016566 0.200108
P 7
1 7.064005 0.026186
2 5.416953 -0.071147
3 2.711517 -0.143338
4 2.078824 0.267792
5 0.854092 0.438107
6 0.374019 0.435410
7 0.154283 0.129704
P 7
1 7.064005 -0.020278
2 5.416953 0.058346
3 2.711517 0.636570
4 2.078824 -1.049953
5 0.854092 -0.752403
6 0.374019 0.731023
7 0.154283 0.490763
P 7
1 7.064005 0.056535
2 5.416953 -0.182992
3 2.711517 -0.820658
4 2.078824 2.129538
5 0.854092 -0.701656
6 0.374019 -1.213006
7 0.154283 1.325680
D 6
1 2.800270 0.032813
2 0.814743 0.081949
3 0.214162 0.087435
4 0.052469 0.259192
5 0.016177 0.660947
6 0.005297 0.221836
D 6
1 2.800270 0.280064
2 0.814743 0.749156
3 0.214162 0.132601
4 0.052469 -0.071315
5 0.016177 -0.117915
6 0.005297 -0.046267
S 1
1 0.018206 1.000000
P 1
1 0.174519 1.000000
D 1
1 0.070000 1.000000
HELIUM
S 6
1 14.724593 0.035459
2 5.876024 0.096816
3 2.184104 0.214521
4 0.859307 0.340033
5 0.346900 0.349025
6 0.140004 0.133138
S 6
1 14.724593 -0.057627
2 5.876024 -0.205015
3 2.184104 -0.625120
4 0.859307 -0.249861
5 0.346900 0.718294
6 0.140004 0.368902
S 1
1 0.297600 1.000000
P 1
1 1.275000 1.000000

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SCANDIUM
S 20
1 4789458.0000000 0.0000040
2 717138.0000000 0.0000350
3 163199.4000000 0.0001820
4 46226.0700000 0.0007680
5 15081.0300000 0.0027890
6 5444.4930000 0.0090270
7 2123.4480000 0.0263500
8 880.5910000 0.0688820
9 383.7729000 0.1556330
10 174.1198000 0.2817100
11 81.5518300 0.3481800
12 38.7658700 0.2193610
13 17.2296200 0.0389150
14 8.43034800 -0.0020840
15 4.10581900 0.0017110
16 1.80662500 -0.0007990
17 0.870423000 0.0003600
18 0.396841000 -0.0001520
19 0.095711000 0.0000610
20 0.048247000 -0.0000480
S 20
1 4789458.0000000 -0.0000010
2 717138.0000000 -0.0000100
3 163199.4000000 -0.0000530
4 46226.0700000 -0.0002250
5 15081.0300000 -0.0008200
6 5444.4930000 -0.0026660
7 2123.4480000 -0.0079010
8 880.5910000 -0.0212590
9 383.7729000 -0.0514410
10 174.1198000 -0.1064140
11 81.5518300 -0.1735290
12 38.7658700 -0.1532720
13 17.2296200 0.1315640
14 8.43034800 0.5369410
15 4.10581900 0.4348940
16 1.80662500 0.0674860
17 0.870423000 -0.0027360
18 0.396841000 0.0020550
19 0.095711000 -0.0005000
20 0.048247000 0.0003920
S 19
1 717138.0000000 0.0000040
2 163199.4000000 0.0000180
3 46226.0700000 0.0000790
4 15081.0300000 0.0002820
5 5444.4930000 0.0009290
6 2123.4480000 0.0027470
7 880.5910000 0.0074180
8 383.7729000 0.0181180
9 174.1198000 0.0379710
10 81.5518300 0.0643440
11 38.7658700 0.0593250
12 17.2296200 -0.0556380
13 8.43034800 -0.3071940
14 4.10581900 -0.3996940
15 1.80662500 0.1576640
16 0.870423000 0.6940990
17 0.396841000 0.3980330
18 0.095711000 0.0231070
19 0.048247000 -0.0089200
S 19
1 717138.0000000 -0.0000010
2 163199.4000000 -0.0000050
3 46226.0700000 -0.0000190
4 15081.0300000 -0.0000700
5 5444.4930000 -0.0002280
6 2123.4480000 -0.0006800
7 880.5910000 -0.0018320
8 383.7729000 -0.0044760
9 174.1198000 -0.0094020
10 81.5518300 -0.0159390
11 38.7658700 -0.0148430
12 17.2296200 0.0140910
13 8.43034800 0.0800850
14 4.10581900 0.1110910
15 1.80662500 -0.0561130
16 0.870423000 -0.2414050
17 0.396841000 -0.2967100
18 0.095711000 0.3310090
19 0.048247000 0.6307610
S 20
1 4789458.0000000 -0.0000100
2 717138.0000000 0.0000810
3 163199.4000000 -0.0000520
4 46226.0700000 -0.0000150
5 15081.0300000 -0.0001280
6 5444.4930000 -0.0003690
7 2123.4480000 -0.0011710
8 880.5910000 -0.0029350
9 383.7729000 -0.0078780
10 174.1198000 -0.0145410
11 81.5518300 -0.0297040
12 38.7658700 -0.0180580
13 17.2296200 0.0058640
14 8.43034800 0.1801430
15 4.10581900 0.1175170
16 1.80662500 0.0544810
17 0.870423000 -0.9204520
18 0.396841000 0.1343350
19 0.095711000 2.1416410
20 0.048247000 -1.1651950
S 20
1 4789458.0000000 0.0000110
2 717138.0000000 -0.0000560
3 163199.4000000 0.0001400
4 46226.0700000 -0.0006310
5 15081.0300000 0.0016770
6 5444.4930000 -0.0078970
7 2123.4480000 0.0095150
8 880.5910000 0.0003610
9 383.7729000 0.0153950
10 174.1198000 0.0209310
11 81.5518300 0.0516960
12 38.7658700 0.0215480
13 17.2296200 0.0106070
14 8.43034800 -0.3528430
15 4.10581900 -0.1409830
16 1.80662500 -0.0959880
17 0.870423000 2.3785830
18 0.396841000 -2.5788460
19 0.095711000 -0.3706990
20 0.048247000 2.8667080
S 1
1 0.022661000 1.0000000
P 15
1 7118.9870000 0.0000900
2 1685.9150000 0.0007950
3 547.4592000 0.0045010
4 209.0187000 0.0190160
5 88.2263800 0.0629700
6 39.9087500 0.1604310
7 18.8517200 0.2975260
8 9.14176300 0.3682280
9 4.50391400 0.2343540
10 2.14309200 0.0488860
11 1.00761100 0.0007460
12 0.463154000 0.0007680
13 0.193060000 -0.0002540
14 0.077220000 0.0001140
15 0.030890000 -0.0000560
P 15
1 7118.9870000 -0.0000300
2 1685.9150000 -0.0002620
3 547.4592000 -0.0014830
4 209.0187000 -0.0063390
5 88.2263800 -0.0213110
6 39.9087500 -0.0563290
7 18.8517200 -0.1079740
8 9.14176300 -0.1445140
9 4.50391400 -0.0560840
10 2.14309200 0.2396690
11 1.00761100 0.4746320
12 0.463154000 0.3647390
13 0.193060000 0.0777780
14 0.077220000 -0.0015240
15 0.030890000 0.0022560
P 15
1 7118.9870000 0.0000090
2 1685.9150000 0.0000760
3 547.4592000 0.0004420
4 209.0187000 0.0018480
5 88.2263800 0.0063640
6 39.9087500 0.0164300
7 18.8517200 0.0326840
8 9.14176300 0.0417770
9 4.50391400 0.0191990
10 2.14309200 -0.0891780
11 1.00761100 -0.1527690
12 0.463154000 -0.2189900
13 0.193060000 0.2279570
14 0.077220000 0.7693560
15 0.030890000 0.1611950
P 15
1 7118.9870000 0.0004540
2 1685.9150000 -0.0023100
3 547.4592000 0.0022250
4 209.0187000 0.0033960
5 88.2263800 0.0122400
6 39.9087500 0.0356370
7 18.8517200 0.0595040
8 9.14176300 0.1051300
9 4.50391400 0.0117120
10 2.14309200 -0.1408420
11 1.00761100 -0.6411810
12 0.463154000 0.1221520
13 0.193060000 1.3953750
14 0.077220000 -0.7062790
15 0.030890000 -0.4300300
P 15
1 7118.9870000 -0.0005020
2 1685.9150000 0.0020750
3 547.4592000 -0.0066550
4 209.0187000 0.0187800
5 88.2263800 -0.0726120
6 39.9087500 0.1181100
7 18.8517200 0.0432120
8 9.14176300 0.1446660
9 4.50391400 0.0822290
10 2.14309200 -0.3699950
11 1.00761100 -1.2279850
12 0.463154000 2.4506950
13 0.193060000 -1.2087560
14 0.077220000 -0.6586530
15 0.030890000 1.1267960
P 1
1 0.012360000 1.0000000
D 9
1 73.5186800 0.0019940
2 21.7610000 0.0144910
3 7.92175500 0.0560450
4 3.18420000 0.1504840
5 1.34262100 0.2674420
6 0.561524000 0.3329810
7 0.227705000 0.3318750
8 0.085241000 0.2165330
9 0.034100000 0.0502200
D 9
1 73.5186800 -0.0020560
2 21.7610000 -0.0151300
3 7.92175500 -0.0585890
4 3.18420000 -0.1600760
5 1.34262100 -0.2654460
6 0.561524000 -0.2817790
7 0.227705000 0.1431640
8 0.085241000 0.5984990
9 0.034100000 0.2648190
D 9
1 73.5186800 -0.0022580
2 21.7610000 -0.0218000
3 7.92175500 -0.0725690
4 3.18420000 -0.2222150
5 1.34262100 -0.3386620
6 0.561524000 -0.0198920
7 0.227705000 0.8645120
8 0.085241000 -0.1586060
9 0.034100000 -0.6502150
D 9
1 73.5186800 0.0235340
2 21.7610000 -0.1037070
3 7.92175500 0.1876500
4 3.18420000 0.2522430
5 1.34262100 0.4588710
6 0.561524000 -0.9555000
7 0.227705000 0.0005320
8 0.085241000 1.0895050
9 0.034100000 -1.0172180
F 6
1 2.96460000 0.0343030
2 1.18590000 0.1016390
3 0.474300000 0.3239780
4 0.189700000 0.5165980
5 0.075900000 0.2940030
6 0.030400000 0.0266410
F 6
1 2.96460000 0.1290820
2 1.18590000 0.3169450
3 0.474300000 0.5774210
4 0.189700000 -0.2135030
5 0.075900000 -0.5582270
6 0.030400000 -0.0591280
F 6
1 2.96460000 -0.2450820
2 1.18590000 -0.5126480
3 0.474300000 0.0650000
4 0.189700000 0.9034580
5 0.075900000 -0.8318230
6 0.030400000 -0.1293200
G 4
1 1.42280000 0.0983400
2 0.569100000 0.3578380
3 0.227600000 0.5681720
4 0.091060000 0.2523340
G 4
1 1.42280000 1.2021280
2 0.569100000 -0.5474770
3 0.227600000 0.0292010
4 0.091060000 -0.0998900
TITANIUM
S 20
1 5309148.1000000 0.0000040
2 794951.6500000 0.0000340
3 180907.5600000 0.0001800
4 51241.9330000 0.0007590
5 16717.4490000 0.0027570
6 6035.2659000 0.0089250
7 2353.8571000 0.0260620
8 976.1464600 0.0681900
9 425.4356300 0.1543490
10 193.0467700 0.2802820
11 90.4393690 0.3484000
12 43.0207130 0.2217050
13 19.1905550 0.0400180
14 9.42571640 -0.0021380
15 4.60524340 0.0017220
16 2.03783430 -0.0008020
17 0.980031800 0.0003560
18 0.445625400 -0.0001480
19 0.106417000 0.0000570
20 0.052570500 -0.0000440
S 20
1 5309148.1000000 -0.0000010
2 794951.6500000 -0.0000100
3 180907.5600000 -0.0000530
4 51241.9330000 -0.0002240
5 16717.4490000 -0.0008180
6 6035.2659000 -0.0026590
7 2353.8571000 -0.0078790
8 976.1464600 -0.0212220
9 425.4356300 -0.0514220
10 193.0467700 -0.1067020
11 90.4393690 -0.1746860
12 43.0207130 -0.1560410
13 19.1905550 0.1293230
14 9.42571640 0.5384640
15 4.60524340 0.4357080
16 2.03783430 0.0681170
17 0.980031800 -0.0024360
18 0.445625400 0.0019870
19 0.106417000 -0.0004560
20 0.052570500 0.0003540
S 19
1 794951.6500000 0.0000040
2 180907.5600000 0.0000180
3 51241.9330000 0.0000810
4 16717.4490000 0.0002890
5 6035.2659000 0.0009510
6 2353.8571000 0.0028120
7 976.1464600 0.0076020
8 425.4356300 0.0185920
9 193.0467700 0.0390850
10 90.4393690 0.0664980
11 43.0207130 0.0620460
12 19.1905550 -0.0562490
13 9.42571640 -0.3180890
14 4.60524340 -0.4058270
15 2.03783430 0.1704320
16 0.980031800 0.6975960
17 0.445625400 0.3891500
18 0.106417000 0.0218960
19 0.052570500 -0.0082540
S 19
1 794951.6500000 -0.0000010
2 180907.5600000 -0.0000050
3 51241.9330000 -0.0000190
4 16717.4490000 -0.0000710
5 6035.2659000 -0.0002290
6 2353.8571000 -0.0006830
7 976.1464600 -0.0018400
8 425.4356300 -0.0045110
9 193.0467700 -0.0094850
10 90.4393690 -0.0162070
11 43.0207130 -0.0151910
12 19.1905550 0.0138500
13 9.42571640 0.0823580
14 4.60524340 0.1108740
15 2.03783430 -0.0582960
16 0.980031800 -0.2486150
17 0.445625400 -0.2792160
18 0.106417000 0.3433130
19 0.052570500 0.6149170
S 20
1 5309148.1000000 -0.0000110
2 794951.6500000 0.0000870
3 180907.5600000 -0.0000550
4 51241.9330000 -0.0000160
5 16717.4490000 -0.0001330
6 6035.2659000 -0.0003960
7 2353.8571000 -0.0012340
8 976.1464600 -0.0031340
9 425.4356300 -0.0083600
10 193.0467700 -0.0155360
11 90.4393690 -0.0318950
12 43.0207130 -0.0195050
13 19.1905550 0.0050340
14 9.42571640 0.1969510
15 4.60524340 0.1221620
16 2.03783430 0.0483240
17 0.980031800 -1.0031570
18 0.445625400 0.2569670
19 0.106417000 2.0565020
20 0.052570500 -1.1902550
S 20
1 5309148.1000000 0.0000460
2 794951.6500000 -0.0002000
3 180907.5600000 0.0007630
4 51241.9330000 -0.0021410
5 16717.4490000 0.0061820
6 6035.2659000 -0.0056600
7 2353.8571000 0.0007270
8 976.1464600 -0.0065600
9 425.4356300 -0.0125850
10 193.0467700 -0.0249610
11 90.4393690 -0.0528180
12 43.0207130 -0.0271110
13 19.1905550 -0.0050550
14 9.42571640 0.3686510
15 4.60524340 0.1803110
16 2.03783430 -0.0262370
17 0.980031800 -2.3503980
18 0.445625400 2.7374740
19 0.106417000 -0.1498370
20 0.052570500 -2.2160630
S 1
1 0.024356800 1.0000000
P 15
1 7999.8045000 0.0000880
2 1894.4515000 0.0007770
3 615.1874800 0.0044040
4 234.9274100 0.0186640
5 99.2137530 0.0620720
6 44.9161400 0.1590770
7 21.2497170 0.2969700
8 10.3304580 0.3688010
9 5.10497990 0.2348260
10 2.44069040 0.0493560
11 1.15120500 0.0009920
12 0.529555600 0.0008040
13 0.221190000 -0.0002200
14 0.088000000 0.0001060
15 0.035000000 -0.0000520
P 15
1 7999.8045000 -0.0000290
2 1894.4515000 -0.0002610
3 615.1874800 -0.0014820
4 234.9274100 -0.0063570
5 99.2137530 -0.0214770
6 44.9161400 -0.0571340
7 21.2497170 -0.1104660
8 10.3304580 -0.1481470
9 5.10497990 -0.0554260
10 2.44069040 0.2455620
11 1.15120500 0.4757130
12 0.529555600 0.3594260
13 0.221190000 0.0766160
14 0.088000000 -0.0013160
15 0.035000000 0.0021070
P 15
1 7999.8045000 0.0000090
2 1894.4515000 0.0000770
3 615.1874800 0.0004470
4 234.9274100 0.0018750
5 99.2137530 0.0064860
6 44.9161400 0.0168790
7 21.2497170 0.0337830
8 10.3304580 0.0435580
9 5.10497990 0.0187800
10 2.44069040 -0.0920490
11 1.15120500 -0.1600270
12 0.529555600 -0.2082470
13 0.221190000 0.2396000
14 0.088000000 0.7498280
15 0.035000000 0.1726060
P 15
1 7999.8045000 -0.0002750
2 1894.4515000 0.0002760
3 615.1874800 0.0008000
4 234.9274100 0.0038990
5 99.2137530 0.0123110
6 44.9161400 0.0350840
7 21.2497170 0.0626880
8 10.3304580 0.1012360
9 5.10497990 0.0187950
10 2.44069040 -0.1609690
11 1.15120500 -0.6082270
12 0.529555600 0.1116360
13 0.221190000 1.3650390
14 0.088000000 -0.6559960
15 0.035000000 -0.4695280
P 15
1 7999.8045000 -0.0009600
2 1894.4515000 0.0043610
3 615.1874800 -0.0149820
4 234.9274100 0.0144880
5 99.2137530 0.0135750
6 44.9161400 0.0389950
7 21.2497170 0.0925800
8 10.3304580 0.1135110
9 5.10497990 0.1171590
10 2.44069040 -0.4618710
11 1.15120500 -1.1103390
12 0.529555600 2.3649510
13 0.221190000 -1.1476610
14 0.088000000 -0.6841230
15 0.035000000 1.1124400
P 1
1 0.014000000 1.0000000
D 9
1 89.5692010 0.0019660
2 26.5843560 0.0147190
3 9.77103230 0.0582080
4 3.96193290 0.1581680
5 1.68926890 0.2828350
6 0.715670600 0.3453520
7 0.293810600 0.3184370
8 0.110830500 0.1856600
9 0.044000000 0.0376320
D 9
1 89.5692010 -0.0020110
2 26.5843560 -0.0150950
3 9.77103230 -0.0603600
4 3.96193290 -0.1672650
5 1.68926890 -0.2740660
6 0.715670600 -0.2505030
7 0.293810600 0.2022710
8 0.110830500 0.5910090
9 0.044000000 0.2444200
D 9
1 89.5692010 -0.0031930
2 26.5843560 -0.0247180
3 9.77103230 -0.1011760
4 3.96193290 -0.2745010
5 1.68926890 -0.3784140
6 0.715670600 0.1781750
7 0.293810600 0.8056580
8 0.110830500 -0.3375820
9 0.044000000 -0.5026250
D 9
1 89.5692010 0.0198860
2 26.5843560 -0.0474660
3 9.77103230 -0.0966340
4 3.96193290 -0.3628120
5 1.68926890 -0.2782630
6 0.715670600 1.0454190
7 0.293810600 -0.3759280
8 0.110830500 -0.8223810
9 0.044000000 0.9827220
F 6
1 5.43500000 0.0242150
2 2.17400000 0.0981360
3 0.870000000 0.2845860
4 0.348000000 0.4948020
5 0.139000000 0.3486170
6 0.056000000 0.0641200
F 6
1 5.43500000 -0.0748530
2 2.17400000 -0.2964440
3 0.870000000 -0.5568820
4 0.348000000 0.0323020
5 0.139000000 0.5926780
6 0.056000000 0.1487120
F 6
1 5.43500000 -0.1778880
2 2.17400000 -0.5063690
3 0.870000000 -0.1195650
4 0.348000000 0.9269920
5 0.139000000 -0.5184050
6 0.056000000 -0.3772850
G 4
1 2.61000000 0.0931460
2 1.04400000 0.2793720
3 0.417600000 0.5663260
4 0.167000000 0.3445500
G 4
1 2.61000000 -0.3960340
2 1.04400000 -0.5362870
3 0.417600000 0.0624540
4 0.167000000 0.6361110
VANADIUM
S 19
1 3321857.0000000 0.0000090
2 497435.6000000 0.0000690
3 113202.7000000 0.0003610
4 32063.3300000 0.0015220
5 10459.6200000 0.0055120
6 3775.5060000 0.0176680
7 1472.0400000 0.0503830
8 609.9331000 0.1248090
9 265.2634000 0.2517260
10 119.8607000 0.3592260
11 55.4489100 0.2741650
12 24.9837200 0.0648620
13 11.8805600 -0.0011640
14 5.66031100 0.0019800
15 2.49570300 -0.0009180
16 1.17786600 0.0004040
17 0.520044000 -0.0001650
18 0.115965000 0.0000680
19 0.058938000 -0.0000550
S 19
1 3321857.0000000 -0.0000030
2 497435.6000000 -0.0000200
3 113202.7000000 -0.0001080
4 32063.3300000 -0.0004540
5 10459.6200000 -0.0016500
6 3775.5060000 -0.0053400
7 1472.0400000 -0.0155930
8 609.9331000 -0.0407240
9 265.2634000 -0.0920840
10 119.8607000 -0.1663640
11 55.4489100 -0.1858060
12 24.9837200 0.0458580
13 11.8805600 0.5080610
14 5.66031100 0.5069380
15 2.49570300 0.0942810
16 1.17786600 -0.0026620
17 0.520044000 0.0023620
18 0.115965000 -0.0005850
19 0.058938000 0.0004730
S 19
1 3321857.0000000 0.0000010
2 497435.6000000 0.0000070
3 113202.7000000 0.0000400
4 32063.3300000 0.0001650
5 10459.6200000 0.0006020
6 3775.5060000 0.0019490
7 1472.0400000 0.0057030
8 609.9331000 0.0150030
9 265.2634000 0.0343340
10 119.8607000 0.0640090
11 55.4489100 0.0749970
12 24.9837200 -0.0196020
13 11.8805600 -0.2870220
14 5.66031100 -0.4540940
15 2.49570300 0.0910300
16 1.17786600 0.7111500
17 0.520044000 0.4310330
18 0.115965000 0.0260820
19 0.058938000 -0.0114010
S 18
1 497435.6000000 -0.0000020
2 113202.7000000 -0.0000090
3 32063.3300000 -0.0000390
4 10459.6200000 -0.0001420
5 3775.5060000 -0.0004620
6 1472.0400000 -0.0013500
7 609.9331000 -0.0035550
8 265.2634000 -0.0081450
9 119.8607000 -0.0152360
10 55.4489100 -0.0179490
11 24.9837200 0.0046600
12 11.8805600 0.0722260
13 5.66031100 0.1216230
14 2.49570300 -0.0337280
15 1.17786600 -0.2473110
16 0.520044000 -0.2829190
17 0.115965000 0.3308530
18 0.058938000 0.5871420
S 19
1 3321857.0000000 -0.0000190
2 497435.6000000 0.0001450
3 113202.7000000 -0.0000960
4 32063.3300000 -0.0000400
5 10459.6200000 -0.0002700
6 3775.5060000 -0.0008590
7 1472.0400000 -0.0023670
8 609.9331000 -0.0068060
9 265.2634000 -0.0138760
10 119.8607000 -0.0305530
11 55.4489100 -0.0260690
12 24.9837200 -0.0092330
13 11.8805600 0.1779380
14 5.66031100 0.1543150
15 2.49570300 0.0921260
16 1.17786600 -1.0115070
17 0.520044000 0.2281550
18 0.115965000 2.1204380
19 0.058938000 -1.2643960
S 19
1 3321857.0000000 -0.0000440
2 497435.6000000 0.0002350
3 113202.7000000 -0.0007760
4 32063.3300000 0.0031230
5 10459.6200000 -0.0027770
6 3775.5060000 -0.0002450
7 1472.0400000 -0.0044220
8 609.9331000 -0.0108530
9 265.2634000 -0.0222110
10 119.8607000 -0.0513090
11 55.4489100 -0.0383960
12 24.9837200 -0.0274690
13 11.8805600 0.3348540
14 5.66031100 0.2493860
15 2.49570300 0.0638120
16 1.17786600 -2.4167250
17 0.520044000 2.6591510
18 0.115965000 -0.1076490
19 0.058938000 -2.1632850
S 1
1 0.026946000 1.0000000
P 14
1 5777.3770000 0.0001840
2 1368.6740000 0.0016110
3 444.1233000 0.0089330
4 169.0991000 0.0364080
5 71.1019100 0.1125600
6 31.9031100 0.2523880
7 14.8510900 0.3804890
8 7.08522700 0.3104780
9 3.32442200 0.0880800
10 1.54116400 0.0031980
11 0.690520000 0.0013680
12 0.285424000 -0.0003880
13 0.114200000 0.0002150
14 0.045700000 -0.0001030
P 14
1 5777.3770000 -0.0000630
2 1368.6740000 -0.0005500
3 444.1233000 -0.0030750
4 169.0991000 -0.0126800
5 71.1019100 -0.0404390
6 31.9031100 -0.0941680
7 14.8510900 -0.1514260
8 7.08522700 -0.1125800
9 3.32442200 0.1678610
10 1.54116400 0.4695080
11 0.690520000 0.4201240
12 0.285424000 0.1090000
13 0.114200000 -0.0012830
14 0.045700000 0.0029660
P 14
1 5777.3770000 0.0000190
2 1368.6740000 0.0001660
3 444.1233000 0.0009150
4 169.0991000 0.0038240
5 71.1019100 0.0120620
6 31.9031100 0.0286260
7 14.8510900 0.0453740
8 7.08522700 0.0357370
9 3.32442200 -0.0632290
10 1.54116400 -0.1621300
11 0.690520000 -0.2105220
12 0.285424000 0.1306620
13 0.114200000 0.7304420
14 0.045700000 0.2787350
P 14
1 5777.3770000 -0.0005020
2 1368.6740000 0.0005280
3 444.1233000 0.0018630
4 169.0991000 0.0074810
5 71.1019100 0.0254270
6 31.9031100 0.0547060
7 14.8510900 0.1035950
8 7.08522700 0.0621770
9 3.32442200 -0.1166360
10 1.54116400 -0.5464790
11 0.690520000 -0.1494390
12 0.285424000 1.3803190
13 0.114200000 -0.3515930
14 0.045700000 -0.6486200
P 14
1 5777.3770000 -0.0018770
2 1368.6740000 0.0085150
3 444.1233000 -0.0288330
4 169.0991000 0.0326910
5 71.1019100 0.0171180
6 31.9031100 0.0850580
7 14.8510900 0.1176090
8 7.08522700 0.1477620
9 3.32442200 -0.2850060
10 1.54116400 -1.1883840
11 0.690520000 1.8230990
12 0.285424000 -0.2143400
13 0.114200000 -1.4357020
14 0.045700000 1.3682950
P 1
1 0.018300000 1.0000000
D 10
1 155.8527000 0.0008550
2 46.4977100 0.0071660
3 17.6299900 0.0316240
4 7.35467200 0.0958440
5 3.27405100 0.2061640
6 1.48248200 0.3042010
7 0.661351000 0.3253210
8 0.284826000 0.2666120
9 0.112899000 0.1358370
10 0.045160000 0.0212920
D 10
1 155.8527000 -0.0009320
2 46.4977100 -0.0074970
3 17.6299900 -0.0340170
4 7.35467200 -0.1044940
5 3.27405100 -0.2226390
6 1.48248200 -0.2784230
7 0.661351000 -0.1178410
8 0.284826000 0.3542000
9 0.112899000 0.5302290
10 0.045160000 0.1566310
D 10
1 155.8527000 0.0014700
2 46.4977100 0.0116580
3 17.6299900 0.0542500
4 7.35467200 0.1709480
5 3.27405100 0.3434530
6 1.48248200 0.2393790
7 0.661351000 -0.5150960
8 0.284826000 -0.5469710
9 0.112899000 0.5516150
10 0.045160000 0.3451870
D 10
1 155.8527000 -0.0105810
2 46.4977100 0.0191830
3 17.6299900 0.0775000
4 7.35467200 0.2167100
5 3.27405100 0.4686440
6 1.48248200 -0.3055970
7 0.661351000 -0.9422950
8 0.284826000 1.0558660
9 0.112899000 0.0755570
10 0.045160000 -0.6885400
D 10
1 155.8527000 -0.0254710
2 46.4977100 0.1124650
3 17.6299900 -0.1882720
4 7.35467200 -0.2619330
5 3.27405100 -0.5000830
6 1.48248200 1.3735240
7 0.661351000 -0.7524420
8 0.284826000 -0.5906400
9 0.112899000 1.3961510
10 0.045160000 -1.0661100
F 6
1 7.32420000 0.0261020
2 2.92970000 0.1169100
3 1.17190000 0.3217760
4 0.468800000 0.4782430
5 0.187500000 0.3204900
6 0.075000000 0.0645420
F 6
1 7.32420000 -0.0715170
2 2.92970000 -0.2948810
3 1.17190000 -0.5374860
4 0.468800000 0.0630260
5 0.187500000 0.5924440
6 0.075000000 0.1736520
F 6
1 7.32420000 -0.1519690
2 2.92970000 -0.5703090
3 1.17190000 -0.0422130
4 0.468800000 0.8695270
5 0.187500000 -0.4745790
6 0.075000000 -0.3905660
G 4
1 3.51160000 0.1037540
2 1.40630000 0.2939900
3 0.562500000 0.5433640
4 0.225000000 0.3550200
G 4
1 3.51160000 -0.3740200
2 1.40630000 -0.5442250
3 0.562500000 0.0610640
4 0.225000000 0.6522650

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2487
basis/ano_bauschlicher Normal file
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1227
basis/apr-cc-pv_q+d_z Normal file
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@ -0,0 +1,709 @@
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491
basis/aug-cc-pcv_t+d_z Normal file
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6 357.4000000 1.0020400E-01
7 139.6000000 2.3437200E-01
8 57.6300000 3.8243400E-01
9 24.6000000 3.1808800E-01
10 10.1200000 7.0778800E-02
11 4.2830000 -1.8179900E-03
12 1.8050000 2.1618000E-03
13 0.2782000 4.3229700E-04
S 13
1 312400.0000000 -1.5670900E-05
2 46800.0000000 -1.2172400E-04
3 10650.0000000 -6.3967200E-04
4 3018.0000000 -2.6742600E-03
5 986.8000000 -9.4983100E-03
6 357.4000000 -2.8934900E-02
7 139.6000000 -7.4512100E-02
8 57.6300000 -1.4993800E-01
9 24.6000000 -1.8946700E-01
10 10.1200000 3.6327000E-02
11 4.2830000 5.2881600E-01
12 1.8050000 5.1911500E-01
13 0.2782000 -9.2569500E-03
S 13
1 312400.0000000 4.3063100E-06
2 46800.0000000 3.3419400E-05
3 10650.0000000 1.7588500E-04
4 3018.0000000 7.3434000E-04
5 986.8000000 2.6177500E-03
6 357.4000000 7.9785200E-03
7 139.6000000 2.0794000E-02
8 57.6300000 4.2444600E-02
9 24.6000000 5.6343600E-02
10 10.1200000 -1.2735800E-02
11 4.2830000 -1.9649500E-01
12 1.8050000 -3.5355500E-01
13 0.2782000 7.0091200E-01
S 1
1 0.6158000 1.0000000
S 1
1 0.1055000 1.0000000
S 1
1 0.0409000 1.0000000
S 1
1 10.9780000 1.0000000
S 1
1 2.0060000 1.0000000
P 7
1 504.9000000 2.3372800E-03
2 119.4000000 1.8541000E-02
3 37.9600000 8.4969300E-02
4 13.9500000 2.4461500E-01
5 5.4570000 4.2276600E-01
6 2.1770000 3.6843900E-01
7 0.2877000 -3.7900500E-03
P 7
1 504.9000000 -5.5523600E-04
2 119.4000000 -4.4591300E-03
3 37.9600000 -2.0635000E-02
4 13.9500000 -6.1769400E-02
5 5.4570000 -1.0892400E-01
6 2.1770000 -1.0559900E-01
7 0.2877000 5.7698100E-01
P 1
1 0.8010000 1.0000000
P 1
1 0.0971400 1.0000000
P 1
1 0.0307000 1.0000000
P 1
1 7.0840000 1.0000000
P 1
1 2.7010000 1.0000000
D 1
1 2.7500000 1.0000000
D 1
1 0.6480000 1.0000000
D 1
1 0.2180000 1.0000000
D 1
1 0.0775000 1.0000000
D 1
1 20.4790000 1.0000000
D 1
1 7.5040000 1.0000000
F 1
1 0.4520000 1.0000000
F 1
1 0.1650000 1.0000000
F 1
1 8.4620000 1.0000000
SULFUR
S 13
1 374100.0000000 5.4214000E-05
2 56050.0000000 4.2085500E-04
3 12760.0000000 2.2069800E-03
4 3615.0000000 9.1925800E-03
5 1183.0000000 3.2112300E-02
6 428.8000000 9.4668300E-02
7 167.8000000 2.2363000E-01
8 69.4700000 3.7439300E-01
9 29.8400000 3.2910800E-01
10 12.7200000 8.4703800E-02
11 5.2440000 4.4085100E-04
12 2.2190000 1.6482700E-03
13 0.3490000 3.0130600E-04
S 13
1 374100.0000000 -1.4983700E-05
2 56050.0000000 -1.1619800E-04
3 12760.0000000 -6.1158300E-04
4 3615.0000000 -2.5537000E-03
5 1183.0000000 -9.0870800E-03
6 428.8000000 -2.7704500E-02
7 167.8000000 -7.2002000E-02
8 69.4700000 -1.4643900E-01
9 29.8400000 -1.9515000E-01
10 12.7200000 8.1919300E-03
11 5.2440000 5.1660100E-01
12 2.2190000 5.4217800E-01
13 0.3490000 -9.1807200E-03
S 13
1 374100.0000000 4.3506600E-06
2 56050.0000000 3.3714000E-05
3 12760.0000000 1.7767400E-04
4 3615.0000000 7.4111600E-04
5 1183.0000000 2.6459100E-03
6 428.8000000 8.0748700E-03
7 167.8000000 2.1227600E-02
8 69.4700000 4.3832300E-02
9 29.8400000 6.1271600E-02
10 12.7200000 -3.6151000E-03
11 5.2440000 -2.0451000E-01
12 2.2190000 -3.8187100E-01
13 0.3490000 7.1414700E-01
S 1
1 0.7767000 1.0000000
S 1
1 0.1322000 1.0000000
S 1
1 0.0497000 1.0000000
S 1
1 12.9280000 1.0000000
S 1
1 2.4130000 1.0000000
P 7
1 574.4000000 2.4226400E-03
2 135.8000000 1.9279600E-02
3 43.1900000 8.8540100E-02
4 15.8700000 2.5465400E-01
5 6.2080000 4.3398400E-01
6 2.4830000 3.5495300E-01
7 0.3229000 -5.0297700E-03
P 7
1 574.4000000 -6.2010200E-04
2 135.8000000 -4.9388200E-03
3 43.1900000 -2.3264700E-02
4 15.8700000 -6.8519500E-02
5 6.2080000 -1.2389600E-01
6 2.4830000 -9.6949900E-02
7 0.3229000 5.6939400E-01
P 1
1 0.8688000 1.0000000
P 1
1 0.1098000 1.0000000
P 1
1 0.0351000 1.0000000
P 1
1 8.1140000 1.0000000
P 1
1 3.1060000 1.0000000
D 1
1 3.2390000 1.0000000
D 1
1 0.8120000 1.0000000
D 1
1 0.2730000 1.0000000
D 1
1 0.1010000 1.0000000
D 1
1 24.0050000 1.0000000
D 1
1 8.8180000 1.0000000
F 1
1 0.5570000 1.0000000
F 1
1 0.2180000 1.0000000
F 1
1 10.0520000 1.0000000
CHLORINE
S 13
1 456100.0000000 4.9297000E-05
2 68330.0000000 3.8302900E-04
3 15550.0000000 2.0085400E-03
4 4405.0000000 8.3855800E-03
5 1439.0000000 2.9470300E-02
6 520.4000000 8.7832500E-02
7 203.1000000 2.1147300E-01
8 83.9600000 3.6536400E-01
9 36.2000000 3.4088400E-01
10 15.8300000 1.0213300E-01
11 6.3340000 3.1167500E-03
12 2.6940000 1.0575100E-03
13 0.4313000 1.5613600E-04
S 13
1 456100.0000000 -1.3830400E-05
2 68330.0000000 -1.0727900E-04
3 15550.0000000 -5.6508300E-04
4 4405.0000000 -2.3613500E-03
5 1439.0000000 -8.4588600E-03
6 520.4000000 -2.5963800E-02
7 203.1000000 -6.8636200E-02
8 83.9600000 -1.4187400E-01
9 36.2000000 -1.9931900E-01
10 15.8300000 -1.9566200E-02
11 6.3340000 4.9974100E-01
12 2.6940000 5.6373600E-01
13 0.4313000 -8.3509100E-03
S 13
1 456100.0000000 4.1854600E-06
2 68330.0000000 3.2439500E-05
3 15550.0000000 1.7110500E-04
4 4405.0000000 7.1417600E-04
5 1439.0000000 2.5670500E-03
6 520.4000000 7.8855200E-03
7 203.1000000 2.1086700E-02
8 83.9600000 4.4226400E-02
9 36.2000000 6.5167000E-02
10 15.8300000 6.0301200E-03
11 6.3340000 -2.0649500E-01
12 2.6940000 -4.0587100E-01
13 0.4313000 7.2566100E-01
S 1
1 0.9768000 1.0000000
S 1
1 0.1625000 1.0000000
S 1
1 0.0591000 1.0000000
S 1
1 15.0640000 1.0000000
S 1
1 2.8740000 1.0000000
P 7
1 663.3000000 2.4044800E-03
2 156.8000000 1.9214800E-02
3 49.9800000 8.8509700E-02
4 18.4200000 2.5602000E-01
5 7.2400000 4.3692700E-01
6 2.9220000 3.5033400E-01
7 0.3818000 -4.5842300E-03
P 7
1 663.3000000 -6.5214500E-04
2 156.8000000 -5.1944500E-03
3 49.9800000 -2.4693800E-02
4 18.4200000 -7.2816700E-02
5 7.2400000 -1.3403000E-01
6 2.9220000 -9.4774200E-02
7 0.3818000 5.6466700E-01
P 1
1 1.0220000 1.0000000
P 1
1 0.1301000 1.0000000
P 1
1 0.0419000 1.0000000
P 1
1 9.4800000 1.0000000
P 1
1 3.6680000 1.0000000
D 1
1 3.8460000 1.0000000
D 1
1 1.0110000 1.0000000
D 1
1 0.3390000 1.0000000
D 1
1 0.1300000 1.0000000
D 1
1 28.0950000 1.0000000
D 1
1 10.3950000 1.0000000
F 1
1 0.7060000 1.0000000
F 1
1 0.3120000 1.0000000
F 1
1 11.7790000 1.0000000

897
basis/aug-cc-pcvdz Normal file
View File

@ -0,0 +1,897 @@
LITHIUM
S 8
1 1469.0000000 0.0007660
2 220.5000000 0.0058920
3 50.2600000 0.0296710
4 14.2400000 0.1091800
5 4.5810000 0.2827890
6 1.5800000 0.4531230
7 0.5640000 0.2747740
8 0.0734500 0.0097510
S 8
1 1469.0000000 -0.0001200
2 220.5000000 -0.0009230
3 50.2600000 -0.0046890
4 14.2400000 -0.0176820
5 4.5810000 -0.0489020
6 1.5800000 -0.0960090
7 0.5640000 -0.1363800
8 0.0734500 0.5751020
S 1
1 0.0280500 1.0000000
S 1
1 0.9060000 1.0000000
S 1
1 0.0086400 1.0000000
P 3
1 1.5340000 0.0227840
2 0.2749000 0.1391070
3 0.0736200 0.5003750
P 1
1 0.0240300 1.0000000
P 1
1 3.2420000 1.0000000
P 1
1 0.0057900 1.0000000
D 1
1 0.1239000 1.0000000
D 1
1 0.0725000 1.0000000
BERYLLIUM
S 8
1 2940.0000000 0.0006800
2 441.2000000 0.0052360
3 100.5000000 0.0266060
4 28.4300000 0.0999930
5 9.1690000 0.2697020
6 3.1960000 0.4514690
7 1.1590000 0.2950740
8 0.1811000 0.0125870
S 8
1 2940.0000000 -0.0001230
2 441.2000000 -0.0009660
3 100.5000000 -0.0048310
4 28.4300000 -0.0193140
5 9.1690000 -0.0532800
6 3.1960000 -0.1207230
7 1.1590000 -0.1334350
8 0.1811000 0.5307670
S 1
1 0.0589000 1.0000000
S 1
1 1.8600000 1.0000000
S 1
1 0.0187700 1.0000000
P 3
1 3.6190000 0.0291110
2 0.7110000 0.1693650
3 0.1951000 0.5134580
P 1
1 0.0601800 1.0000000
P 1
1 6.1630000 1.0000000
P 1
1 0.0085000 1.0000000
D 1
1 0.2380000 1.0000000
D 1
1 0.0740000 1.0000000
BORON
S 8
1 4570.0000000 0.0006960
2 685.9000000 0.0053530
3 156.5000000 0.0271340
4 44.4700000 0.1013800
5 14.4800000 0.2720550
6 5.1310000 0.4484030
7 1.8980000 0.2901230
8 0.3329000 0.0143220
S 8
1 4570.0000000 -0.0001390
2 685.9000000 -0.0010970
3 156.5000000 -0.0054440
4 44.4700000 -0.0219160
5 14.4800000 -0.0597510
6 5.1310000 -0.1387320
7 1.8980000 -0.1314820
8 0.3329000 0.5395260
S 1
1 0.1043000 1.0000000
S 1
1 3.0660000 1.0000000
S 1
1 0.0310500 1.0000000
P 3
1 6.0010000 0.0354810
2 1.2410000 0.1980720
3 0.3364000 0.5052300
P 1
1 0.0953800 1.0000000
P 1
1 9.9400000 1.0000000
P 1
1 0.0237800 1.0000000
D 1
1 0.3430000 1.0000000
D 1
1 0.0904000 1.0000000
CARBON
S 8
1 6665.0000000 0.0006920
2 1000.0000000 0.0053290
3 228.0000000 0.0270770
4 64.7100000 0.1017180
5 21.0600000 0.2747400
6 7.4950000 0.4485640
7 2.7970000 0.2850740
8 0.5215000 0.0152040
S 8
1 6665.0000000 -0.0001460
2 1000.0000000 -0.0011540
3 228.0000000 -0.0057250
4 64.7100000 -0.0233120
5 21.0600000 -0.0639550
6 7.4950000 -0.1499810
7 2.7970000 -0.1272620
8 0.5215000 0.5445290
S 1
1 0.1596000 1.0000000
S 1
1 4.5300000 1.0000000
S 1
1 0.0469000 1.0000000
P 3
1 9.4390000 0.0381090
2 2.0020000 0.2094800
3 0.5456000 0.5085570
P 1
1 0.1517000 1.0000000
P 1
1 14.5570000 1.0000000
P 1
1 0.0404100 1.0000000
D 1
1 0.5500000 1.0000000
D 1
1 0.1510000 1.0000000
NITROGEN
S 8
1 9046.0000000 0.0007000
2 1357.0000000 0.0053890
3 309.3000000 0.0274060
4 87.7300000 0.1032070
5 28.5600000 0.2787230
6 10.2100000 0.4485400
7 3.8380000 0.2782380
8 0.7466000 0.0154400
S 8
1 9046.0000000 -0.0001530
2 1357.0000000 -0.0012080
3 309.3000000 -0.0059920
4 87.7300000 -0.0245440
5 28.5600000 -0.0674590
6 10.2100000 -0.1580780
7 3.8380000 -0.1218310
8 0.7466000 0.5490030
S 1
1 0.2248000 1.0000000
S 1
1 6.2330000 1.0000000
S 1
1 0.0612400 1.0000000
P 3
1 13.5500000 0.0399190
2 2.9170000 0.2171690
3 0.7973000 0.5103190
P 1
1 0.2185000 1.0000000
P 1
1 19.9770000 1.0000000
P 1
1 0.0561100 1.0000000
D 1
1 0.8170000 1.0000000
D 1
1 0.2300000 1.0000000
OXYGEN
S 8
1 11720.0000000 0.0007100
2 1759.0000000 0.0054700
3 400.8000000 0.0278370
4 113.7000000 0.1048000
5 37.0300000 0.2830620
6 13.2700000 0.4487190
7 5.0250000 0.2709520
8 1.0130000 0.0154580
S 8
1 11720.0000000 -0.0001600
2 1759.0000000 -0.0012630
3 400.8000000 -0.0062670
4 113.7000000 -0.0257160
5 37.0300000 -0.0709240
6 13.2700000 -0.1654110
7 5.0250000 -0.1169550
8 1.0130000 0.5573680
S 1
1 0.3023000 1.0000000
S 1
1 8.2150000 1.0000000
S 1
1 0.0789600 1.0000000
P 3
1 17.7000000 0.0430180
2 3.8540000 0.2289130
3 1.0460000 0.5087280
P 1
1 0.2753000 1.0000000
P 1
1 26.0560000 1.0000000
P 1
1 0.0685600 1.0000000
D 1
1 1.1850000 1.0000000
D 1
1 0.3320000 1.0000000
FLUORINE
S 8
1 14710.0000000 0.0007210
2 2207.0000000 0.0055530
3 502.8000000 0.0282670
4 142.6000000 0.1064440
5 46.4700000 0.2868140
6 16.7000000 0.4486410
7 6.3560000 0.2647610
8 1.3160000 0.0153330
S 8
1 14710.0000000 -0.0001650
2 2207.0000000 -0.0013080
3 502.8000000 -0.0064950
4 142.6000000 -0.0266910
5 46.4700000 -0.0736900
6 16.7000000 -0.1707760
7 6.3560000 -0.1123270
8 1.3160000 0.5628140
S 1
1 0.3897000 1.0000000
S 1
1 10.4260000 1.0000000
S 1
1 0.0986300 1.0000000
P 3
1 22.6700000 0.0448780
2 4.9770000 0.2357180
3 1.3470000 0.5085210
P 1
1 0.3471000 1.0000000
P 1
1 32.8300000 1.0000000
P 1
1 0.0850200 1.0000000
D 1
1 1.6400000 1.0000000
D 1
1 0.4640000 1.0000000
NEON
S 8
1 17880.0000000 0.0007380
2 2683.0000000 0.0056770
3 611.5000000 0.0288830
4 173.5000000 0.1085400
5 56.6400000 0.2909070
6 20.4200000 0.4483240
7 7.8100000 0.2580260
8 1.6530000 0.0150630
S 8
1 17880.0000000 -0.0001720
2 2683.0000000 -0.0013570
3 611.5000000 -0.0067370
4 173.5000000 -0.0276630
5 56.6400000 -0.0762080
6 20.4200000 -0.1752270
7 7.8100000 -0.1070380
8 1.6530000 0.5670500
S 1
1 0.4869000 1.0000000
S 1
1 12.8540000 1.0000000
S 1
1 0.1230000 1.0000000
P 3
1 28.3900000 0.0460870
2 6.2700000 0.2401810
3 1.6950000 0.5087440
P 1
1 0.4317000 1.0000000
P 1
1 40.1840000 1.0000000
P 1
1 0.1064000 1.0000000
D 1
1 2.2020000 1.0000000
D 1
1 0.6310000 1.0000000
SODIUM
S 11
1 31700.0000000 0.458878E-03
2 4755.0000000 0.355070E-02
3 1082.0000000 0.182618E-01
4 306.4000000 0.716650E-01
5 99.5300000 0.212346E+00
6 35.4200000 0.416203E+00
7 13.3000000 0.373020E+00
8 4.3920000 0.625054E-01
9 1.6760000 -0.624532E-02
10 0.5889000 0.243374E-02
11 0.0564000 -0.442381E-03
S 11
1 31700.0000000 -0.112162E-03
2 4755.0000000 -0.868512E-03
3 1082.0000000 -0.451330E-02
4 306.4000000 -0.181436E-01
5 99.5300000 -0.580799E-01
6 35.4200000 -0.137653E+00
7 13.3000000 -0.193908E+00
8 4.3920000 0.858009E-01
9 1.6760000 0.604419E+00
10 0.5889000 0.441719E+00
11 0.0564000 0.130547E-01
S 11
1 31700.0000000 0.170160E-04
2 4755.0000000 0.130693E-03
3 1082.0000000 0.687784E-03
4 306.4000000 0.272359E-02
5 99.5300000 0.895529E-02
6 35.4200000 0.207832E-01
7 13.3000000 0.319380E-01
8 4.3920000 -0.191368E-01
9 1.6760000 -0.102595E+00
10 0.5889000 -0.198945E+00
11 0.0564000 0.655952E+00
S 1
1 0.0230700 1.0000000
S 1
1 0.7040000 1.0000000
S 1
1 0.0072500 1.0000000
P 7
1 138.1000000 0.579641E-02
2 32.2400000 0.415756E-01
3 9.9850000 0.162873E+00
4 3.4840000 0.359401E+00
5 1.2310000 0.449988E+00
6 0.4177000 0.227507E+00
7 0.0651300 0.808247E-02
P 7
1 138.1000000 -0.581531E-03
2 32.2400000 -0.407306E-02
3 9.9850000 -0.167937E-01
4 3.4840000 -0.353268E-01
5 1.2310000 -0.521971E-01
6 0.4177000 -0.168359E-01
7 0.0651300 0.434613E+00
P 1
1 0.0205300 1.0000000
P 1
1 0.7610000 1.0000000
P 1
1 0.0063300 1.0000000
D 1
1 0.0973000 1.0000000
D 1
1 2.9490000 1.0000000
D 1
1 0.0468000 1.0000000
MAGNESIUM
S 11
1 47390.0000000 0.346023E-03
2 7108.0000000 0.268077E-02
3 1618.0000000 0.138367E-01
4 458.4000000 0.551767E-01
5 149.3000000 0.169660E+00
6 53.5900000 0.364703E+00
7 20.7000000 0.406856E+00
8 8.3840000 0.135089E+00
9 2.5420000 0.490884E-02
10 0.8787000 0.286460E-03
11 0.1077000 0.264590E-04
S 11
1 47390.0000000 -0.877839E-04
2 7108.0000000 -0.674725E-03
3 1618.0000000 -0.355603E-02
4 458.4000000 -0.142154E-01
5 149.3000000 -0.476748E-01
6 53.5900000 -0.114892E+00
7 20.7000000 -0.200676E+00
8 8.3840000 -0.341224E-01
9 2.5420000 0.570454E+00
10 0.8787000 0.542309E+00
11 0.1077000 0.218128E-01
S 11
1 47390.0000000 0.169628E-04
2 7108.0000000 0.129865E-03
3 1618.0000000 0.688831E-03
4 458.4000000 0.273533E-02
5 149.3000000 0.931224E-02
6 53.5900000 0.223265E-01
7 20.7000000 0.411195E-01
8 8.3840000 0.545642E-02
9 2.5420000 -0.134012E+00
10 0.8787000 -0.256176E+00
11 0.1077000 0.605856E+00
S 1
1 0.0399900 1.0000000
S 1
1 3.4220000 1.0000000
S 1
1 0.0148800 1.0000000
P 7
1 179.9000000 0.538161E-02
2 42.1400000 0.392418E-01
3 13.1300000 0.157445E+00
4 4.6280000 0.358535E+00
5 1.6700000 0.457226E+00
6 0.5857000 0.215918E+00
7 0.1311000 0.664948E-02
P 7
1 179.9000000 -0.865948E-03
2 42.1400000 -0.615978E-02
3 13.1300000 -0.261519E-01
4 4.6280000 -0.570647E-01
5 1.6700000 -0.873906E-01
6 0.5857000 -0.122990E-01
7 0.1311000 0.502085E+00
P 1
1 0.0411200 1.0000000
P 1
1 8.2790000 1.0000000
P 1
1 0.0093500 1.0000000
D 1
1 0.1870000 1.0000000
D 1
1 3.7040000 1.0000000
D 1
1 0.0595000 1.0000000
ALUMINUM
S 11
1 64150.0000000 0.290250E-03
2 9617.0000000 0.225064E-02
3 2189.0000000 0.116459E-01
4 620.5000000 0.467377E-01
5 202.7000000 0.146299E+00
6 73.1500000 0.330283E+00
7 28.5500000 0.415861E+00
8 11.7700000 0.189253E+00
9 3.3000000 0.115889E-01
10 1.1730000 -0.128385E-02
11 0.1752000 0.425883E-03
S 11
1 64150.0000000 -0.758048E-04
2 9617.0000000 -0.581791E-03
3 2189.0000000 -0.308113E-02
4 620.5000000 -0.123112E-01
5 202.7000000 -0.419781E-01
6 73.1500000 -0.103371E+00
7 28.5500000 -0.196308E+00
8 11.7700000 -0.830002E-01
9 3.3000000 0.541040E+00
10 1.1730000 0.578796E+00
11 0.1752000 0.288147E-01
S 11
1 64150.0000000 0.175078E-04
2 9617.0000000 0.134208E-03
3 2189.0000000 0.712442E-03
4 620.5000000 0.284330E-02
5 202.7000000 0.976842E-02
6 73.1500000 0.241850E-01
7 28.5500000 0.474993E-01
8 11.7700000 0.203621E-01
9 3.3000000 -0.158788E+00
10 1.1730000 -0.311694E+00
11 0.1752000 0.620147E+00
S 1
1 0.0647300 1.0000000
S 1
1 4.0300000 1.0000000
S 1
1 0.0231000 1.0000000
P 7
1 258.8000000 0.406847E-02
2 60.8900000 0.306815E-01
3 19.1400000 0.129149E+00
4 6.8810000 0.320831E+00
5 2.5740000 0.453815E+00
6 0.9572000 0.275066E+00
7 0.2099000 0.190807E-01
P 7
1 258.8000000 -0.748053E-03
2 60.8900000 -0.545796E-02
3 19.1400000 -0.245371E-01
4 6.8810000 -0.582138E-01
5 2.5740000 -0.983756E-01
6 0.9572000 -0.260064E-01
7 0.2099000 0.464020E+00
P 1
1 0.0598600 1.0000000
P 1
1 1.5290000 1.0000000
P 1
1 0.0153000 1.0000000
D 1
1 0.1890000 1.0000000
D 1
1 4.7250000 1.0000000
D 1
1 0.0535000 1.0000000
SILICON
S 11
1 78860.0000000 0.270443E-03
2 11820.0000000 0.209717E-02
3 2692.0000000 0.108506E-01
4 763.4000000 0.436754E-01
5 249.6000000 0.137653E+00
6 90.2800000 0.316644E+00
7 35.2900000 0.418581E+00
8 14.5100000 0.210212E+00
9 4.0530000 0.144952E-01
10 1.4820000 -0.203590E-02
11 0.2517000 0.624186E-03
S 11
1 78860.0000000 -0.723177E-04
2 11820.0000000 -0.555116E-03
3 2692.0000000 -0.293805E-02
4 763.4000000 -0.117687E-01
5 249.6000000 -0.402907E-01
6 90.2800000 -0.100609E+00
7 35.2900000 -0.196528E+00
8 14.5100000 -0.102382E+00
9 4.0530000 0.527190E+00
10 1.4820000 0.593251E+00
11 0.2517000 0.332652E-01
S 11
1 78860.0000000 0.185113E-04
2 11820.0000000 0.142236E-03
3 2692.0000000 0.752185E-03
4 763.4000000 0.302279E-02
5 249.6000000 0.103677E-01
6 90.2800000 0.262563E-01
7 35.2900000 0.523989E-01
8 14.5100000 0.290959E-01
9 4.0530000 -0.178003E+00
10 1.4820000 -0.346874E+00
11 0.2517000 0.623020E+00
S 1
1 0.0924300 1.0000000
S 1
1 4.9590000 1.0000000
S 1
1 0.0332000 1.0000000
P 7
1 315.9000000 0.392656E-02
2 74.4200000 0.298811E-01
3 23.4800000 0.127212E+00
4 8.4880000 0.320943E+00
5 3.2170000 0.455429E+00
6 1.2290000 0.268563E+00
7 0.2964000 0.188336E-01
P 7
1 315.9000000 -0.858302E-03
2 74.4200000 -0.630328E-02
3 23.4800000 -0.288255E-01
4 8.4880000 -0.694560E-01
5 3.2170000 -0.119493E+00
6 1.2290000 -0.199581E-01
7 0.2964000 0.510268E+00
P 1
1 0.0876800 1.0000000
P 1
1 1.9980000 1.0000000
P 1
1 0.0250000 1.0000000
D 1
1 0.2750000 1.0000000
D 1
1 5.8060000 1.0000000
D 1
1 0.0823000 1.0000000
PHOSPHORUS
S 11
1 94840.0000000 0.255509E-03
2 14220.0000000 0.198193E-02
3 3236.0000000 0.102760E-01
4 917.1000000 0.414823E-01
5 299.5000000 0.131984E+00
6 108.1000000 0.308662E+00
7 42.1800000 0.420647E+00
8 17.2800000 0.222878E+00
9 4.8580000 0.164035E-01
10 1.8180000 -0.254255E-02
11 0.3372000 0.748050E-03
S 11
1 94840.0000000 -0.696939E-04
2 14220.0000000 -0.535266E-03
3 3236.0000000 -0.283709E-02
4 917.1000000 -0.113983E-01
5 299.5000000 -0.392929E-01
6 108.1000000 -0.996364E-01
7 42.1800000 -0.197983E+00
8 17.2800000 -0.114860E+00
9 4.8580000 0.518595E+00
10 1.8180000 0.601847E+00
11 0.3372000 0.368612E-01
S 11
1 94840.0000000 0.191199E-04
2 14220.0000000 0.147223E-03
3 3236.0000000 0.777912E-03
4 917.1000000 0.314546E-02
5 299.5000000 0.108200E-01
6 108.1000000 0.279957E-01
7 42.1800000 0.563978E-01
8 17.2800000 0.358190E-01
9 4.8580000 -0.193387E+00
10 1.8180000 -0.372097E+00
11 0.3372000 0.624246E+00
S 1
1 0.1232000 1.0000000
S 1
1 5.9770000 1.0000000
S 1
1 0.0417000 1.0000000
P 7
1 370.5000000 0.395005E-02
2 87.3300000 0.302492E-01
3 27.5900000 0.129554E+00
4 10.0000000 0.327594E+00
5 3.8250000 0.456992E+00
6 1.4940000 0.253086E+00
7 0.3921000 0.168798E-01
P 7
1 370.5000000 -0.959832E-03
2 87.3300000 -0.711177E-02
3 27.5900000 -0.327122E-01
4 10.0000000 -0.795784E-01
5 3.8250000 -0.135016E+00
6 1.4940000 -0.910585E-02
7 0.3921000 0.537802E+00
P 1
1 0.1186000 1.0000000
P 1
1 2.5240000 1.0000000
P 1
1 0.0343000 1.0000000
D 1
1 0.3730000 1.0000000
D 1
1 7.0200000 1.0000000
D 1
1 0.1130000 1.0000000
SULFUR
S 11
1 110800.0000000 0.247635E-03
2 16610.0000000 0.192026E-02
3 3781.0000000 0.996192E-02
4 1071.0000000 0.402975E-01
5 349.8000000 0.128604E+00
6 126.3000000 0.303480E+00
7 49.2600000 0.421432E+00
8 20.1600000 0.230781E+00
9 5.7200000 0.178971E-01
10 2.1820000 -0.297516E-02
11 0.4327000 0.849522E-03
S 11
1 110800.0000000 -0.687039E-04
2 16610.0000000 -0.527681E-03
3 3781.0000000 -0.279671E-02
4 1071.0000000 -0.112651E-01
5 349.8000000 -0.388834E-01
6 126.3000000 -0.995025E-01
7 49.2600000 -0.199740E+00
8 20.1600000 -0.123360E+00
9 5.7200000 0.513194E+00
10 2.1820000 0.607120E+00
11 0.4327000 0.396753E-01
S 11
1 110800.0000000 0.199077E-04
2 16610.0000000 0.153483E-03
3 3781.0000000 0.809503E-03
4 1071.0000000 0.328974E-02
5 349.8000000 0.112967E-01
6 126.3000000 0.296385E-01
7 49.2600000 0.599851E-01
8 20.1600000 0.413248E-01
9 5.7200000 -0.207474E+00
10 2.1820000 -0.392889E+00
11 0.4327000 0.632840E+00
S 1
1 0.1570000 1.0000000
S 1
1 7.0830000 1.0000000
S 1
1 0.0507000 1.0000000
P 7
1 399.7000000 0.447541E-02
2 94.1900000 0.341708E-01
3 29.7500000 0.144250E+00
4 10.7700000 0.353928E+00
5 4.1190000 0.459085E+00
6 1.6250000 0.206383E+00
7 0.4726000 0.102141E-01
P 7
1 399.7000000 -0.116251E-02
2 94.1900000 -0.865664E-02
3 29.7500000 -0.390886E-01
4 10.7700000 -0.934625E-01
5 4.1190000 -0.147994E+00
6 1.6250000 0.301904E-01
7 0.4726000 0.561573E+00
P 1
1 0.1407000 1.0000000
P 1
1 3.0890000 1.0000000
P 1
1 0.0399000 1.0000000
D 1
1 0.4790000 1.0000000
D 1
1 8.3630000 1.0000000
D 1
1 0.1520000 1.0000000
CHLORINE
S 11
1 127900.0000000 0.241153E-03
2 19170.0000000 0.187095E-02
3 4363.0000000 0.970827E-02
4 1236.0000000 0.393153E-01
5 403.6000000 0.125932E+00
6 145.7000000 0.299341E+00
7 56.8100000 0.421886E+00
8 23.2300000 0.237201E+00
9 6.6440000 0.191531E-01
10 2.5750000 -0.334792E-02
11 0.5371000 0.929883E-03
S 11
1 127900.0000000 -0.678922E-04
2 19170.0000000 -0.521836E-03
3 4363.0000000 -0.276513E-02
4 1236.0000000 -0.111537E-01
5 403.6000000 -0.385919E-01
6 145.7000000 -0.994848E-01
7 56.8100000 -0.201392E+00
8 23.2300000 -0.130313E+00
9 6.6440000 0.509443E+00
10 2.5750000 0.610725E+00
11 0.5371000 0.421549E-01
S 11
1 127900.0000000 0.204986E-04
2 19170.0000000 0.158298E-03
3 4363.0000000 0.833639E-03
4 1236.0000000 0.339880E-02
5 403.6000000 0.116738E-01
6 145.7000000 0.309622E-01
7 56.8100000 0.629533E-01
8 23.2300000 0.460257E-01
9 6.6440000 -0.219312E+00
10 2.5750000 -0.408773E+00
11 0.5371000 0.638465E+00
S 1
1 0.1938000 1.0000000
S 1
1 8.2730000 1.0000000
S 1
1 0.0608000 1.0000000
P 7
1 417.6000000 0.525982E-02
2 98.3300000 0.398332E-01
3 31.0400000 0.164655E+00
4 11.1900000 0.387322E+00
5 4.2490000 0.457072E+00
6 1.6240000 0.151636E+00
7 0.5322000 0.181615E-02
P 7
1 417.6000000 -0.143570E-02
2 98.3300000 -0.107796E-01
3 31.0400000 -0.470075E-01
4 11.1900000 -0.111030E+00
5 4.2490000 -0.153275E+00
6 1.6240000 0.894609E-01
7 0.5322000 0.579444E+00
P 1
1 0.1620000 1.0000000
P 1
1 3.6970000 1.0000000
P 1
1 0.0466000 1.0000000
D 1
1 0.6000000 1.0000000
D 1
1 9.8440000 1.0000000
D 1
1 0.1960000 1.0000000
ARGON
S 11
1 145700.0000000 0.236700E-03
2 21840.0000000 0.183523E-02
3 4972.0000000 0.952860E-02
4 1408.0000000 0.386283E-01
5 459.7000000 0.124081E+00
6 165.9000000 0.296471E+00
7 64.6900000 0.422068E+00
8 26.4400000 0.241711E+00
9 7.6280000 0.200509E-01
10 2.9960000 -0.361000E-02
11 0.6504000 0.975607E-03
S 11
1 145700.0000000 -0.674910E-04
2 21840.0000000 -0.518522E-03
3 4972.0000000 -0.274825E-02
4 1408.0000000 -0.111007E-01
5 459.7000000 -0.384820E-01
6 165.9000000 -0.997599E-01
7 64.6900000 -0.203088E+00
8 26.4400000 -0.135608E+00
9 7.6280000 0.507195E+00
10 2.9960000 0.612898E+00
11 0.6504000 0.442968E-01
S 11
1 145700.0000000 0.210457E-04
2 21840.0000000 0.162565E-03
3 4972.0000000 0.855463E-03
4 1408.0000000 0.349745E-02
5 459.7000000 0.120156E-01
6 165.9000000 0.321368E-01
7 64.6900000 0.655279E-01
8 26.4400000 0.499370E-01
9 7.6280000 -0.229769E+00
10 2.9960000 -0.421006E+00
11 0.6504000 0.642331E+00
S 1
1 0.2337000 1.0000000
S 1
1 9.5480000 1.0000000
S 1
1 0.0709000 1.0000000
P 7
1 453.7000000 0.570555E-02
2 106.8000000 0.430460E-01
3 33.7300000 0.176591E+00
4 12.1300000 0.406863E+00
5 4.5940000 0.452549E+00
6 1.6780000 0.122801E+00
7 0.5909000 -0.445996E-02
P 7
1 453.7000000 -0.160655E-02
2 106.8000000 -0.121714E-01
3 33.7300000 -0.520789E-01
4 12.1300000 -0.123737E+00
5 4.5940000 -0.151619E+00
6 1.6780000 0.142425E+00
7 0.5909000 0.584501E+00
P 1
1 0.1852000 1.0000000
P 1
1 4.3610000 1.0000000
P 1
1 0.0533000 1.0000000
D 1
1 0.7380000 1.0000000
D 1
1 11.4590000 1.0000000
D 1
1 0.2400000 1.0000000

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@ -0,0 +1,956 @@
NEON
S 9
1 0.205835 0.057514
2 0.391384 0.215776
3 0.744196 0.374799
4 1.415048 0.326313
5 2.690638 0.166383
6 5.116103 -0.039149
7 9.727994 -0.085909
8 18.497256 0.006816
9 35.171534 0.000206
S 1
1 0.318678 1.000000
S 1
1 0.830178 1.000000
S 1
1 1.591904 1.000000
S 1
1 2.744999 1.000000
P 9
1 0.121772 0.029943
2 0.238248 0.114200
3 0.466136 0.219618
4 0.912002 0.268864
5 1.784344 0.256932
6 3.491095 0.191378
7 6.830378 0.112176
8 13.363732 0.063317
9 26.146332 0.008057
P 1
1 0.218226 1.000000
P 1
1 0.636921 1.000000
P 1
1 1.888191 1.000000
P 1
1 3.020108 1.000000
D 1
1 0.654924 1.000000
D 1
1 1.931502 1.000000
D 1
1 5.027566 1.000000
D 1
1 6.989700 1.000000
F 1
1 1.314297 1.000000
F 1
1 4.065928 1.000000
F 1
1 5.587487 1.000000
G 1
1 2.070925 1.000000
G 1
1 6.073107 1.000000
H 1
1 3.743118 1.000000
S 1
1 0.0957000 1.0000000
P 1
1 0.0654000 1.0000000
D 1
1 0.2130000 1.0000000
F 1
1 0.4250000 1.0000000
G 1
1 0.8090000 1.0000000
H 1
1 1.6280000 1.0000000
BORON
S 9
1 0.040569 0.032031
2 0.081044 0.243317
3 0.161898 0.434636
4 0.323418 0.329581
5 0.646080 0.111875
6 1.290648 -0.078699
7 2.578276 -0.098781
8 5.150520 0.016164
9 10.288990 -0.000016
S 1
1 0.070664 1.000000
S 1
1 0.170896 1.000000
S 1
1 0.375720 1.000000
S 1
1 0.614105 1.000000
P 9
1 0.029207 0.019909
2 0.058408 0.141775
3 0.116803 0.294463
4 0.233582 0.309028
5 0.467115 0.236378
6 0.934132 0.131317
7 1.868068 0.066454
8 3.735743 0.021248
9 7.470701 0.002837
P 1
1 0.057917 1.000000
P 1
1 0.143772 1.000000
P 1
1 0.436327 1.000000
P 1
1 0.566611 1.000000
D 1
1 0.134838 1.000000
D 1
1 0.380163 1.000000
D 1
1 0.808233 1.000000
D 1
1 1.022256 1.000000
F 1
1 0.272717 1.000000
F 1
1 0.799174 1.000000
F 1
1 1.002171 1.000000
G 1
1 0.486131 1.000000
G 1
1 0.824366 1.000000
H 1
1 0.632779 1.000000
S 1
1 0.0261000 1.0000000
P 1
1 0.0157000 1.0000000
D 1
1 0.0431000 1.0000000
F 1
1 0.0843000 1.0000000
G 1
1 0.2020000 1.0000000
H 1
1 0.3840000 1.0000000
ALUMINUM
S 9
1 0.045518 0.206193
2 0.100308 0.559887
3 0.221051 0.407852
4 0.487132 -0.041098
5 1.073500 -0.238652
6 2.365686 0.038132
7 5.213294 -0.003935
8 11.488606 0.000470
9 25.317597 -0.000014
S 1
1 0.056415 1.000000
S 1
1 0.155063 1.000000
S 1
1 0.332041 1.000000
S 1
1 0.725343 1.000000
P 9
1 0.014848 0.009932
2 0.030967 0.160212
3 0.064586 0.389171
4 0.134700 0.373235
5 0.280932 0.195800
6 0.585913 0.022947
7 1.221985 -0.053293
8 2.548578 0.004846
9 5.315330 -0.000726
P 1
1 0.033949 1.000000
P 1
1 0.083154 1.000000
P 1
1 0.251360 1.000000
P 1
1 0.314422 1.000000
D 1
1 0.088651 1.000000
D 1
1 0.241216 1.000000
D 1
1 0.575129 1.000000
D 1
1 0.989127 1.000000
F 1
1 0.148598 1.000000
F 1
1 0.374850 1.000000
F 1
1 0.781006 1.000000
G 1
1 0.259548 1.000000
G 1
1 0.561381 1.000000
H 1
1 0.328731 1.000000
S 1
1 0.0177000 1.0000000
P 1
1 0.0115000 1.0000000
D 1
1 0.0294000 1.0000000
F 1
1 0.0509000 1.0000000
G 1
1 0.1069000 1.0000000
H 1
1 0.2270000 1.0000000
NITROGEN
S 9
1 0.098869 0.067266
2 0.211443 0.334290
3 0.452197 0.454257
4 0.967080 0.267861
5 2.068221 0.000248
6 4.423150 -0.132606
7 9.459462 0.014437
8 20.230246 0.000359
9 43.264919 -0.000094
S 1
1 0.115320 1.000000
S 1
1 0.286632 1.000000
S 1
1 0.702011 1.000000
S 1
1 1.532221 1.000000
P 9
1 0.073234 0.035758
2 0.145867 0.153945
3 0.290535 0.277656
4 0.578683 0.297676
5 1.152612 0.234403
6 2.295756 0.140321
7 4.572652 0.067219
8 9.107739 0.031594
9 18.140657 0.003301
P 1
1 0.120601 1.000000
P 1
1 0.322697 1.000000
P 1
1 0.978538 1.000000
P 1
1 1.272759 1.000000
D 1
1 0.305579 1.000000
D 1
1 0.891436 1.000000
D 1
1 1.542532 1.000000
D 1
1 2.798122 1.000000
F 1
1 0.587676 1.000000
F 1
1 1.592967 1.000000
F 1
1 2.443045 1.000000
G 1
1 1.038637 1.000000
G 1
1 2.842018 1.000000
H 1
1 2.272542 1.000000
S 1
1 0.0518000 1.0000000
P 1
1 0.0369000 1.0000000
D 1
1 0.0971000 1.0000000
F 1
1 0.1920000 1.0000000
G 1
1 0.4360000 1.0000000
H 1
1 0.7880000 1.0000000
FLUORINE
S 9
1 0.172723 0.070240
2 0.364875 0.311088
3 0.770795 0.444675
4 1.628295 0.287011
5 3.439757 0.018759
6 7.266451 -0.128608
7 15.350300 0.009104
8 32.427348 0.000810
9 68.502433 -0.000133
S 1
1 0.191146 1.000000
S 1
1 0.459697 1.000000
S 1
1 1.250265 1.000000
S 1
1 2.542428 1.000000
P 9
1 0.101001 0.035321
2 0.204414 0.136924
3 0.413707 0.249353
4 0.837289 0.286620
5 1.694565 0.254541
6 3.429580 0.169572
7 6.941026 0.088542
8 14.047737 0.039843
9 28.430799 0.003378
P 1
1 0.170574 1.000000
P 1
1 0.489019 1.000000
P 1
1 1.505085 1.000000
P 1
1 2.018698 1.000000
D 1
1 0.517711 1.000000
D 1
1 1.523306 1.000000
D 1
1 3.901897 1.000000
D 1
1 5.603581 1.000000
F 1
1 0.981494 1.000000
F 1
1 2.950321 1.000000
F 1
1 4.297889 1.000000
G 1
1 1.638933 1.000000
G 1
1 4.619953 1.000000
H 1
1 2.963127 1.000000
S 1
1 0.0806000 1.0000000
P 1
1 0.0550000 1.0000000
D 1
1 0.1720000 1.0000000
F 1
1 0.3310000 1.0000000
G 1
1 0.6630000 1.0000000
H 1
1 1.3260000 1.0000000
CHLORINE
S 9
1 0.119944 0.148917
2 0.257348 0.503616
3 0.552157 0.523995
4 1.184691 0.013612
5 2.541836 -0.328846
6 5.453681 0.056309
7 11.701243 -0.001301
8 25.105812 -0.000294
9 53.866226 0.000076
S 1
1 0.152049 1.000000
S 1
1 0.639110 1.000000
S 1
1 0.801438 1.000000
S 1
1 1.671380 1.000000
P 9
1 0.074374 0.084925
2 0.155084 0.270658
3 0.323378 0.396022
4 0.674303 0.324325
5 1.406043 0.100661
6 2.931855 -0.069802
7 6.113450 -0.000951
8 12.747651 0.001501
9 26.581165 -0.000249
P 1
1 0.103926 1.000000
P 1
1 0.275582 1.000000
P 1
1 0.667436 1.000000
P 1
1 1.171614 1.000000
D 1
1 0.237419 1.000000
D 1
1 0.729517 1.000000
D 1
1 0.924049 1.000000
D 1
1 1.522182 1.000000
F 1
1 0.335123 1.000000
F 1
1 0.789116 1.000000
F 1
1 1.609975 1.000000
G 1
1 0.576133 1.000000
G 1
1 1.402971 1.000000
H 1
1 1.099609 1.000000
S 1
1 0.0479000 1.0000000
P 1
1 0.0348000 1.0000000
D 1
1 0.1003000 1.0000000
F 1
1 0.1640000 1.0000000
G 1
1 0.2770000 1.0000000
H 1
1 0.6070000 1.0000000
CARBON
S 9
1 0.051344 0.013991
2 0.102619 0.169852
3 0.205100 0.397529
4 0.409924 0.380369
5 0.819297 0.180113
6 1.637494 -0.033512
7 3.272791 -0.121499
8 6.541187 0.015176
9 13.073594 -0.000705
S 1
1 0.098302 1.000000
S 1
1 0.232034 1.000000
S 1
1 0.744448 1.000000
S 1
1 1.009914 1.000000
P 9
1 0.029281 0.001787
2 0.058547 0.050426
3 0.117063 0.191634
4 0.234064 0.302667
5 0.468003 0.289868
6 0.935757 0.210979
7 1.871016 0.112024
8 3.741035 0.054425
9 7.480076 0.021931
P 1
1 0.084047 1.000000
P 1
1 0.216618 1.000000
P 1
1 0.576869 1.000000
P 1
1 1.006252 1.000000
D 1
1 0.206619 1.000000
D 1
1 0.606933 1.000000
D 1
1 1.001526 1.000000
D 1
1 1.504882 1.000000
F 1
1 0.400573 1.000000
F 1
1 1.099564 1.000000
F 1
1 1.501091 1.000000
G 1
1 0.797648 1.000000
G 1
1 1.401343 1.000000
H 1
1 1.001703 1.000000
S 1
1 0.0394000 1.0000000
P 1
1 0.0272000 1.0000000
D 1
1 0.0701000 1.0000000
F 1
1 0.1380000 1.0000000
G 1
1 0.3190000 1.0000000
H 1
1 0.5860000 1.0000000
OXYGEN
S 9
1 0.125346 0.055741
2 0.268022 0.304848
3 0.573098 0.453752
4 1.225429 0.295926
5 2.620277 0.019567
6 5.602818 -0.128627
7 11.980245 0.012024
8 25.616801 0.000407
9 54.775216 -0.000076
S 1
1 0.160664 1.000000
S 1
1 0.384526 1.000000
S 1
1 0.935157 1.000000
S 1
1 1.937532 1.000000
P 9
1 0.083598 0.044958
2 0.167017 0.150175
3 0.333673 0.255999
4 0.666627 0.281879
5 1.331816 0.242835
6 2.660761 0.161134
7 5.315785 0.082308
8 10.620108 0.039899
9 21.217318 0.004679
P 1
1 0.130580 1.000000
P 1
1 0.372674 1.000000
P 1
1 1.178227 1.000000
P 1
1 1.589967 1.000000
D 1
1 0.401152 1.000000
D 1
1 1.174596 1.000000
D 1
1 2.823972 1.000000
D 1
1 4.292433 1.000000
F 1
1 0.708666 1.000000
F 1
1 2.006788 1.000000
F 1
1 3.223721 1.000000
G 1
1 1.207657 1.000000
G 1
1 3.584495 1.000000
H 1
1 2.615818 1.000000
S 1
1 0.0655000 1.0000000
P 1
1 0.0446000 1.0000000
D 1
1 0.1310000 1.0000000
F 1
1 0.2370000 1.0000000
G 1
1 0.5170000 1.0000000
H 1
1 1.0240000 1.0000000
HYDROGEN
S 9
1 0.013000 0.000706
2 0.029900 -0.002119
3 0.068770 0.057693
4 0.158170 0.230695
5 0.363792 0.277612
6 0.836721 0.169833
7 1.924458 0.097443
8 4.426254 0.029966
9 10.180385 -0.000452
S 1
1 0.122344 1.000000
S 1
1 0.402892 1.000000
S 1
1 0.715047 1.000000
S 1
1 1.379838 1.000000
P 9
1 0.003000 0.001242
2 0.007800 -0.000913
3 0.020281 -0.000054
4 0.052730 -0.000238
5 0.137097 -0.011530
6 0.356451 -0.018235
7 0.926774 -0.013929
8 2.409612 -0.009395
9 6.264991 -0.000347
P 1
1 0.784765 1.000000
P 1
1 0.173606 1.000000
P 1
1 0.513665 1.000000
D 1
1 2.917388 1.000000
D 1
1 0.466379 1.000000
D 1
1 1.132171 1.000000
F 1
1 1.649608 1.000000
F 1
1 0.793185 1.000000
G 1
1 1.606813 1.000000
S 1
1 0.0207000 1.0000000
P 1
1 0.0744000 1.0000000
D 1
1 0.1560000 1.0000000
F 1
1 0.2740000 1.0000000
G 1
1 0.5430000 1.0000000
PHOSPHORUS
S 9
1 0.074718 0.140225
2 0.160834 0.506746
3 0.346202 0.499893
4 0.745215 0.037301
5 1.604109 -0.284591
6 3.452917 0.024766
7 7.432561 0.001798
8 15.998924 -0.000314
9 34.438408 0.000088
S 1
1 0.082092 1.000000
S 1
1 0.195525 1.000000
S 1
1 0.434767 1.000000
S 1
1 1.027573 1.000000
P 9
1 0.050242 0.072095
2 0.102391 0.278735
3 0.208669 0.411034
4 0.425256 0.304724
5 0.866651 0.091727
6 1.766191 -0.057060
7 3.599410 -0.005103
8 7.335418 0.000328
9 14.949217 -0.000046
P 1
1 0.074159 1.000000
P 1
1 0.189382 1.000000
P 1
1 0.470798 1.000000
P 1
1 0.815677 1.000000
D 1
1 0.167800 1.000000
D 1
1 0.457307 1.000000
D 1
1 1.021650 1.000000
D 1
1 1.598720 1.000000
F 1
1 0.214751 1.000000
F 1
1 0.482380 1.000000
F 1
1 0.984966 1.000000
G 1
1 0.406484 1.000000
G 1
1 0.924507 1.000000
H 1
1 0.831913 1.000000
S 1
1 0.0335000 1.0000000
P 1
1 0.0253000 1.0000000
D 1
1 0.0624000 1.0000000
F 1
1 0.0950000 1.0000000
G 1
1 0.1840000 1.0000000
H 1
1 0.3720000 1.0000000
SILICON
S 9
1 0.059887 0.167492
2 0.130108 0.532550
3 0.282668 0.464290
4 0.614115 -0.002322
5 1.334205 -0.268234
6 2.898645 0.031921
7 6.297493 -0.000106
8 13.681707 -0.000145
9 29.724387 0.000067
S 1
1 0.075500 1.000000
S 1
1 0.196459 1.000000
S 1
1 0.424036 1.000000
S 1
1 0.920486 1.000000
P 9
1 0.036525 0.078761
2 0.076137 0.308331
3 0.158712 0.417773
4 0.330843 0.281676
5 0.689658 0.069876
6 1.437625 -0.056306
7 2.996797 0.000744
8 6.246966 -0.000259
9 13.022097 -0.000022
P 1
1 0.048136 1.000000
P 1
1 0.115813 1.000000
P 1
1 0.238594 1.000000
P 1
1 0.496918 1.000000
D 1
1 0.127945 1.000000
D 1
1 0.353096 1.000000
D 1
1 0.805426 1.000000
D 1
1 1.247695 1.000000
F 1
1 0.172876 1.000000
F 1
1 0.402208 1.000000
F 1
1 0.833081 1.000000
G 1
1 0.299885 1.000000
G 1
1 0.647054 1.000000
H 1
1 0.557542 1.000000
S 1
1 0.0260000 1.0000000
P 1
1 0.0192000 1.0000000
D 1
1 0.0468000 1.0000000
F 1
1 0.0735000 1.0000000
G 1
1 0.1510000 1.0000000
H 1
1 0.3230000 1.0000000
ARGON
S 9
1 0.147347 0.155473
2 0.312164 0.494617
3 0.661339 0.526705
4 1.401090 0.021986
5 2.968301 -0.338533
6 6.288539 0.056023
7 13.322677 -0.000115
8 28.224956 -0.000595
9 59.796402 0.000127
S 1
1 0.189594 1.000000
S 1
1 0.778040 1.000000
S 1
1 0.971266 1.000000
S 1
1 1.979612 1.000000
P 9
1 0.090580 0.079101
2 0.188085 0.260718
3 0.390548 0.395065
4 0.810953 0.334954
5 1.683902 0.107462
6 3.496535 -0.073657
7 7.260371 -0.001407
8 15.075781 0.001710
9 31.304069 -0.000275
P 1
1 0.133916 1.000000
P 1
1 0.356186 1.000000
P 1
1 0.833562 1.000000
P 1
1 1.430927 1.000000
D 1
1 0.268113 1.000000
D 1
1 0.697753 1.000000
D 1
1 1.185366 1.000000
D 1
1 2.118102 1.000000
F 1
1 0.422461 1.000000
F 1
1 0.973776 1.000000
F 1
1 2.020616 1.000000
G 1
1 0.695217 1.000000
G 1
1 1.690111 1.000000
H 1
1 1.258944 1.000000
S 1
1 0.0538000 1.0000000
P 1
1 0.0402000 1.0000000
D 1
1 0.1210000 1.0000000
F 1
1 0.2090000 1.0000000
G 1
1 0.3340000 1.0000000
H 1
1 0.7420000 1.0000000
SULFUR
S 9
1 0.095120 0.140074
2 0.202385 0.490942
3 0.430611 0.515297
4 0.916203 0.050320
5 1.949388 -0.298908
6 4.147674 0.019827
7 8.824926 0.007266
8 18.776623 -0.001602
9 39.950656 0.000271
S 1
1 0.113918 1.000000
S 1
1 0.282790 1.000000
S 1
1 0.626702 1.000000
S 1
1 1.338226 1.000000
P 9
1 0.057087 0.081938
2 0.115901 0.251826
3 0.235305 0.376344
4 0.477723 0.320902
5 0.969889 0.143779
6 1.969099 -0.045543
7 3.997726 -0.017191
8 8.116307 0.002580
9 16.477979 -0.000222
P 1
1 0.079101 1.000000
P 1
1 0.210632 1.000000
P 1
1 0.522537 1.000000
P 1
1 0.924454 1.000000
D 1
1 0.186546 1.000000
D 1
1 0.462328 1.000000
D 1
1 0.955579 1.000000
D 1
1 2.334308 1.000000
F 1
1 0.274343 1.000000
F 1
1 0.661568 1.000000
F 1
1 1.389533 1.000000
G 1
1 0.486698 1.000000
G 1
1 1.166495 1.000000
H 1
1 0.839494 1.000000
S 1
1 0.0420000 1.0000000
P 1
1 0.0294000 1.0000000
D 1
1 0.0794000 1.0000000
F 1
1 0.1188000 1.0000000
G 1
1 0.2200000 1.0000000
H 1
1 0.4720000 1.0000000
HELIUM
S 9
1 0.077786 0.012425
2 0.161528 0.128251
3 0.335425 0.282221
4 0.696535 0.292427
5 1.446408 0.215025
6 3.003576 0.125450
7 6.237154 0.064912
8 12.951926 0.038892
9 26.895662 0.002531
S 1
1 1.324312 1.000000
S 1
1 0.876976 1.000000
S 1
1 0.294075 1.000000
S 1
1 0.116506 1.000000
P 8
1 0.228528 -0.000116
2 0.422019 2.116950
3 0.779333 -2.182954
4 1.439180 1.545850
5 2.657706 -0.879477
6 4.907934 0.469710
7 9.063386 -0.224631
8 16.737180 0.098422
P 1
1 6.741009 1.000000
P 1
1 2.647340 1.000000
P 1
1 0.893850 1.000000
D 1
1 1.842278 1.000000
D 1
1 2.175208 1.000000
D 1
1 4.285515 1.000000
F 1
1 0.749734 1.000000
F 1
1 1.632074 1.000000
G 1
1 0.623669 1.000000
S 1
1 0.0466400 1.0000000
P 1
1 0.1400000 1.0000000
D 1
1 0.2892000 1.0000000
F 1
1 0.5345000 1.0000000
G 1
1 0.7899000 1.0000000

3535
basis/aug-cc-pv5z_ecp_ncsu Normal file
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1519
basis/aug-cc-pv6z Normal file
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727
basis/aug-cc-pv_5+d_z Normal file
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@ -0,0 +1,727 @@
ALUMINUM
S 16
1 3269000.0000000 0.213962E-05
2 489400.0000000 0.166264E-04
3 111400.0000000 0.875168E-04
4 31560.0000000 0.368990E-03
5 10320.0000000 0.133903E-02
6 3731.0000000 0.435636E-02
7 1456.0000000 0.128955E-01
8 604.1000000 0.348201E-01
9 263.5000000 0.843530E-01
10 119.8000000 0.175907E+00
11 56.3200000 0.292091E+00
12 27.1900000 0.328220E+00
13 13.2600000 0.186927E+00
14 6.0520000 0.310430E-01
15 2.9810000 -0.508922E-03
16 1.4760000 0.148836E-02
S 16
1 3269000.0000000 -0.556026E-06
2 489400.0000000 -0.432303E-05
3 111400.0000000 -0.227413E-04
4 31560.0000000 -0.960116E-04
5 10320.0000000 -0.348376E-03
6 3731.0000000 -0.113836E-02
7 1456.0000000 -0.338744E-02
8 604.1000000 -0.931505E-02
9 263.5000000 -0.233023E-01
10 119.8000000 -0.523486E-01
11 56.3200000 -0.999499E-01
12 27.1900000 -0.150560E+00
13 13.2600000 -0.119121E+00
14 6.0520000 0.108091E+00
15 2.9810000 0.411129E+00
16 1.4760000 0.457214E+00
S 16
1 3269000.0000000 0.128423E-06
2 489400.0000000 0.997514E-06
3 111400.0000000 0.525480E-05
4 31560.0000000 0.221450E-04
5 10320.0000000 0.805464E-04
6 3731.0000000 0.262506E-03
7 1456.0000000 0.784220E-03
8 604.1000000 0.215039E-02
9 263.5000000 0.541974E-02
10 119.8000000 0.121686E-01
11 56.3200000 0.236823E-01
12 27.1900000 0.360937E-01
13 13.2600000 0.303284E-01
14 6.0520000 -0.309034E-01
15 2.9810000 -0.119126E+00
16 1.4760000 -0.211145E+00
S 1
1 0.7334000 1.0000000
S 1
1 0.2447000 1.0000000
S 1
1 0.1088000 1.0000000
S 1
1 0.0467200 1.0000000
S 1
1 0.0177000 1.0000000
P 8
1 1461.0000000 0.208613E-03
2 346.2000000 0.181005E-02
3 112.2000000 0.973433E-02
4 42.5100000 0.378266E-01
5 17.7200000 0.110898E+00
6 7.8520000 0.234295E+00
7 3.5710000 0.345245E+00
8 1.6370000 0.331430E+00
P 8
1 1461.0000000 -0.371947E-04
2 346.2000000 -0.328563E-03
3 112.2000000 -0.174264E-02
4 42.5100000 -0.694828E-02
5 17.7200000 -0.202807E-01
6 7.8520000 -0.448657E-01
7 3.5710000 -0.643278E-01
8 1.6370000 -0.752666E-01
P 1
1 0.7382000 1.0000000
P 1
1 0.2577000 1.0000000
P 1
1 0.0977300 1.0000000
P 1
1 0.0369000 1.0000000
P 1
1 0.0115000 1.0000000
D 1
1 2.6390000 1.0000000
D 1
1 0.5880000 1.0000000
D 1
1 0.3800000 1.0000000
D 1
1 0.1800000 1.0000000
D 1
1 0.0728000 1.0000000
D 1
1 0.0254000 1.0000000
F 1
1 0.1300000 1.0000000
F 1
1 0.2580000 1.0000000
F 1
1 0.5130000 1.0000000
F 1
1 0.0509000 1.0000000
G 1
1 0.2520000 1.0000000
G 1
1 0.5430000 1.0000000
G 1
1 0.1069000 1.0000000
H 1
1 0.4460000 1.0000000
H 1
1 0.2270000 1.0000000
SILICON
S 16
1 3948000.0000000 0.203712E-05
2 591100.0000000 0.158394E-04
3 134500.0000000 0.833590E-04
4 38120.0000000 0.351361E-03
5 12460.0000000 0.127660E-02
6 4504.0000000 0.415191E-02
7 1758.0000000 0.123030E-01
8 729.1000000 0.333102E-01
9 318.0000000 0.809845E-01
10 144.6000000 0.170290E+00
11 67.9700000 0.286879E+00
12 32.8200000 0.330340E+00
13 16.0300000 0.196602E+00
14 7.3960000 0.354535E-01
15 3.6610000 -0.535204E-03
16 1.8230000 0.161465E-02
S 16
1 3948000.0000000 -0.542085E-06
2 591100.0000000 -0.421677E-05
3 134500.0000000 -0.221813E-04
4 38120.0000000 -0.936028E-04
5 12460.0000000 -0.340116E-03
6 4504.0000000 -0.111061E-02
7 1758.0000000 -0.330878E-02
8 729.1000000 -0.911602E-02
9 318.0000000 -0.228790E-01
10 144.6000000 -0.517119E-01
11 67.9700000 -0.999091E-01
12 32.8200000 -0.152747E+00
13 16.0300000 -0.127508E+00
14 7.3960000 0.946963E-01
15 3.6610000 0.414036E+00
16 1.8230000 0.467934E+00
S 16
1 3948000.0000000 0.138907E-06
2 591100.0000000 0.107953E-05
3 134500.0000000 0.568628E-05
4 38120.0000000 0.239537E-04
5 12460.0000000 0.872409E-04
6 4504.0000000 0.284163E-03
7 1758.0000000 0.849840E-03
8 729.1000000 0.233527E-02
9 318.0000000 0.590466E-02
10 144.6000000 0.133461E-01
11 67.9700000 0.262889E-01
12 32.8200000 0.407426E-01
13 16.0300000 0.361476E-01
14 7.3960000 -0.303923E-01
15 3.6610000 -0.135961E+00
16 1.8230000 -0.250144E+00
S 1
1 0.9147000 1.0000000
S 1
1 0.3393000 1.0000000
S 1
1 0.1500000 1.0000000
S 1
1 0.0643800 1.0000000
S 1
1 0.0260000 1.0000000
P 8
1 1780.0000000 0.201206E-03
2 421.8000000 0.174937E-02
3 136.7000000 0.948141E-02
4 51.8100000 0.372313E-01
5 21.6000000 0.110763E+00
6 9.5630000 0.237933E+00
7 4.3500000 0.353691E+00
8 2.0060000 0.328839E+00
P 8
1 1780.0000000 -0.427152E-04
2 421.8000000 -0.377039E-03
3 136.7000000 -0.202240E-02
4 51.8100000 -0.812833E-02
5 21.6000000 -0.242272E-01
6 9.5630000 -0.543825E-01
7 4.3500000 -0.799051E-01
8 2.0060000 -0.888958E-01
P 1
1 0.9205000 1.0000000
P 1
1 0.3500000 1.0000000
P 1
1 0.1381000 1.0000000
P 1
1 0.0533800 1.0000000
P 1
1 0.0192000 1.0000000
D 1
1 3.7380000 1.0000000
D 1
1 0.8930000 1.0000000
D 1
1 0.5330000 1.0000000
D 1
1 0.2580000 1.0000000
D 1
1 0.1050000 1.0000000
D 1
1 0.0390000 1.0000000
F 1
1 0.1690000 1.0000000
F 1
1 0.3410000 1.0000000
F 1
1 0.6880000 1.0000000
F 1
1 0.0735000 1.0000000
G 1
1 0.3200000 1.0000000
G 1
1 0.7050000 1.0000000
G 1
1 0.1510000 1.0000000
H 1
1 0.5830000 1.0000000
H 1
1 0.3230000 1.0000000
PHOSPHORUS
S 16
1 4666000.0000000 0.196759E-05
2 698600.0000000 0.152963E-04
3 159000.0000000 0.804826E-04
4 45040.0000000 0.339737E-03
5 14720.0000000 0.123291E-02
6 5323.0000000 0.401345E-02
7 2076.0000000 0.119124E-01
8 861.1000000 0.322511E-01
9 375.7000000 0.786643E-01
10 170.8000000 0.166458E+00
11 80.2900000 0.283039E+00
12 38.7700000 0.331942E+00
13 18.9300000 0.203352E+00
14 8.7960000 0.383183E-01
15 4.3580000 -0.384720E-03
16 2.1740000 0.158744E-02
S 16
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2 698600.0000000 -0.415422E-05
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835
basis/aug-cc-pv_6+d_z Normal file
View File

@ -0,0 +1,835 @@
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409
basis/aug-cc-pv_d+d_z Normal file
View File

@ -0,0 +1,409 @@
ALUMINUM
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CHLORINE
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ARGON
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589
basis/aug-cc-pv_q+d_z Normal file
View File

@ -0,0 +1,589 @@
ALUMINUM
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SULFUR
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ARGON
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505
basis/aug-cc-pv_t+d_z Normal file
View File

@ -0,0 +1,505 @@
ALUMINUM
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PHOSPHORUS
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SULFUR
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CHLORINE
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13 0.4313000 0.725661E+00
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S 1
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S 1
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P 7
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3 49.9800000 0.885097E-01
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P 7
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P 1
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P 1
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P 1
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D 1
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D 1
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F 1
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F 1
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ARGON
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2 81640.0000000 0.354108E-03
3 18580.0000000 0.185797E-02
4 5261.0000000 0.776851E-02
5 1717.0000000 0.274232E-01
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12 3.2050000 0.483473E-03
13 0.5204000 0.292025E-04
S 13
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2 81640.0000000 -0.100428E-03
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4 5261.0000000 -0.221396E-02
5 1717.0000000 -0.796845E-02
6 619.9000000 -0.245803E-01
7 241.6000000 -0.657798E-01
8 99.7900000 -0.137942E+00
9 43.1500000 -0.201630E+00
10 19.1400000 -0.412834E-01
11 7.4880000 0.484680E+00
12 3.2050000 0.579224E+00
13 0.5204000 -0.727553E-02
S 13
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3 18580.0000000 0.165646E-03
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S 1
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S 1
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P 7
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5 8.3880000 -0.141133E+00
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P 1
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P 1
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P 1
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D 1
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D 1
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D 1
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D 1
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F 1
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F 1
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2458
basis/aug-cc-pvdz-pp Normal file
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basis/aug-cc-pvdz_ecp_bfd Normal file
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@ -0,0 +1,804 @@
ARSENIC
S 9
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2 0.178687 0.611682
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4 0.904702 -0.110280
5 2.035691 -0.394179
6 4.580555 0.145632
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8 23.191593 0.003205
9 52.183937 -0.000469
S 1
1 0.051480 1.000000
P 9
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4 0.500995 0.231243
5 1.075603 -0.009549
6 2.309248 -0.121767
7 4.957802 0.028648
8 10.644071 -0.002941
9 22.852115 0.000293
P 1
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D 1
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S 1
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P 1
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D 1
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LITHIUM
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6 0.672909 -0.119269
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8 3.605689 0.003630
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S 1
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P 9
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2 0.031699 -0.031422
3 0.054908 -0.043628
4 0.095111 -0.016781
5 0.164751 -0.078594
6 0.285379 0.015562
7 0.494330 -0.030830
8 0.856273 0.006185
9 1.483225 -0.008621
P 1
1 0.070391 1.000000
D 1
1 0.110720 1.000000
S 1
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P 1
1 0.0057900 1.0000000
D 1
1 0.0725000 1.0000000
GERMANIUM
S 9
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2 0.150128 0.605570
3 0.340013 0.413442
4 0.770064 -0.106356
5 1.744049 -0.364579
6 3.949940 0.127448
7 8.945864 -0.017166
8 20.260687 0.002454
9 45.886614 -0.000355
S 1
1 0.043781 1.000000
P 9
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2 0.080524 0.372290
3 0.177593 0.443836
4 0.391677 0.232585
5 0.863832 0.000058
6 1.905157 -0.108282
7 4.201772 0.021894
8 9.266892 -0.001911
9 20.437873 0.000181
P 1
1 0.074726 1.000000
D 1
1 0.234278 1.000000
S 1
1 0.0339610 1.0000000
P 1
1 0.0239450 1.0000000
D 1
1 0.0771000 1.0000000
NEON
S 9
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2 0.391384 0.215776
3 0.744196 0.374799
4 1.415048 0.326313
5 2.690638 0.166383
6 5.116103 -0.039149
7 9.727994 -0.085909
8 18.497256 0.006816
9 35.171534 0.000206
S 1
1 0.455383 1.000000
P 9
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2 0.238248 0.114200
3 0.466136 0.219618
4 0.912002 0.268864
5 1.784344 0.256932
6 3.491095 0.191378
7 6.830378 0.112176
8 13.363732 0.063317
9 26.146332 0.008057
P 1
1 0.472224 1.000000
D 1
1 2.371533 1.000000
S 1
1 0.1230000 1.0000000
P 1
1 0.1064000 1.0000000
D 1
1 0.6310000 1.0000000
BORON
S 9
1 0.040569 0.032031
2 0.081044 0.243317
3 0.161898 0.434636
4 0.323418 0.329581
5 0.646080 0.111875
6 1.290648 -0.078699
7 2.578276 -0.098781
8 5.150520 0.016164
9 10.288990 -0.000016
S 1
1 0.082513 1.000000
P 9
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2 0.058408 0.141775
3 0.116803 0.294463
4 0.233582 0.309028
5 0.467115 0.236378
6 0.934132 0.131317
7 1.868068 0.066454
8 3.735743 0.021248
9 7.470701 0.002837
P 1
1 0.086803 1.000000
D 1
1 0.349879 1.000000
S 1
1 0.0310500 1.0000000
P 1
1 0.0237800 1.0000000
D 1
1 0.0904000 1.0000000
GALLIUM
S 9
1 0.054628 0.253171
2 0.123743 0.598295
3 0.280299 0.356909
4 0.634926 -0.056544
5 1.438218 -0.411266
6 3.257814 0.156079
7 7.379514 -0.025142
8 16.715879 0.004089
9 37.864367 -0.000622
S 1
1 0.031898 1.000000
P 9
1 0.029207 0.759400
2 0.064420 -0.022059
3 0.142086 0.368252
4 0.313389 0.051142
5 0.691221 0.036655
6 1.524577 -0.078589
7 3.362652 0.017781
8 7.416764 -0.002498
9 16.358632 0.000386
P 1
1 0.027155 1.000000
D 1
1 0.182311 1.000000
S 1
1 0.0243480 1.0000000
P 1
1 0.0151640 1.0000000
D 1
1 0.0537000 1.0000000
ALUMINUM
S 9
1 0.045518 0.206193
2 0.100308 0.559887
3 0.221051 0.407852
4 0.487132 -0.041098
5 1.073500 -0.238652
6 2.365686 0.038132
7 5.213294 -0.003935
8 11.488606 0.000470
9 25.317597 -0.000014
S 1
1 0.044024 1.000000
P 9
1 0.014848 0.009932
2 0.030967 0.160212
3 0.064586 0.389171
4 0.134700 0.373235
5 0.280932 0.195800
6 0.585913 0.022947
7 1.221985 -0.053293
8 2.548578 0.004846
9 5.315330 -0.000726
P 1
1 0.206631 1.000000
D 1
1 0.193079 1.000000
S 1
1 0.0231000 1.0000000
P 1
1 0.0153000 1.0000000
D 1
1 0.0535000 1.0000000
MAGNESIUM
S 9
1 0.030975 0.165290
2 0.062959 0.506272
3 0.127970 0.333197
4 0.260111 0.057482
5 0.528700 -0.137614
6 1.074630 -0.135378
7 2.184285 0.048310
8 4.439759 -0.005312
9 9.024217 0.000465
S 1
1 0.162370 1.000000
P 9
1 0.047055 1.502038
2 0.083253 -1.433944
3 0.147298 1.318987
4 0.260611 -0.741124
5 0.461094 0.436300
6 0.815803 -0.243798
7 1.443383 0.086774
8 2.553745 -0.028677
9 4.518286 0.006085
P 1
1 0.121683 1.000000
D 1
1 0.135526 1.000000
S 1
1 0.0148800 1.0000000
P 1
1 0.0093500 1.0000000
D 1
1 0.0595000 1.0000000
NITROGEN
S 9
1 0.098869 0.067266
2 0.211443 0.334290
3 0.452197 0.454257
4 0.967080 0.267861
5 2.068221 0.000248
6 4.423150 -0.132606
7 9.459462 0.014437
8 20.230246 0.000359
9 43.264919 -0.000094
S 1
1 0.175123 1.000000
P 9
1 0.073234 0.035758
2 0.145867 0.153945
3 0.290535 0.277656
4 0.578683 0.297676
5 1.152612 0.234403
6 2.295756 0.140321
7 4.572652 0.067219
8 9.107739 0.031594
9 18.140657 0.003301
P 1
1 0.223042 1.000000
D 1
1 0.832058 1.000000
S 1
1 0.0612400 1.0000000
P 1
1 0.0561100 1.0000000
D 1
1 0.2300000 1.0000000
BROMINE
S 9
1 0.114626 0.199832
2 0.253024 0.605806
3 0.558520 0.486414
4 1.232866 -0.208964
5 2.721403 -0.328448
6 6.007171 0.118471
7 13.260109 -0.013112
8 29.270100 0.001206
9 64.610234 -0.000121
S 1
1 0.074712 1.000000
P 9
1 0.067990 0.107992
2 0.145507 0.331860
3 0.311403 0.442871
4 0.666441 0.283256
5 1.426267 -0.026045
6 3.052389 -0.111323
7 6.532494 0.021712
8 13.980353 -0.001188
9 29.919703 0.000022
P 1
1 0.129654 1.000000
D 1
1 0.417296 1.000000
S 1
1 0.0569460 1.0000000
P 1
1 0.0410490 1.0000000
D 1
1 0.1719000 1.0000000
FLUORINE
S 9
1 0.172723 0.070240
2 0.364875 0.311088
3 0.770795 0.444675
4 1.628295 0.287011
5 3.439757 0.018759
6 7.266451 -0.128608
7 15.350300 0.009104
8 32.427348 0.000810
9 68.502433 -0.000133
S 1
1 0.344569 1.000000
P 9
1 0.101001 0.035321
2 0.204414 0.136924
3 0.413707 0.249353
4 0.837289 0.286620
5 1.694565 0.254541
6 3.429580 0.169572
7 6.941026 0.088542
8 14.047737 0.039843
9 28.430799 0.003378
P 1
1 0.364831 1.000000
D 1
1 1.722479 1.000000
S 1
1 0.0986300 1.0000000
P 1
1 0.0850200 1.0000000
D 1
1 0.4640000 1.0000000
CHLORINE
S 9
1 0.119944 0.148917
2 0.257348 0.503616
3 0.552157 0.523995
4 1.184691 0.013612
5 2.541836 -0.328846
6 5.453681 0.056309
7 11.701243 -0.001301
8 25.105812 -0.000294
9 53.866226 0.000076
S 1
1 0.120667 1.000000
P 9
1 0.074374 0.084925
2 0.155084 0.270658
3 0.323378 0.396022
4 0.674303 0.324325
5 1.406043 0.100661
6 2.931855 -0.069802
7 6.113450 -0.000951
8 12.747651 0.001501
9 26.581165 -0.000249
P 1
1 0.168333 1.000000
D 1
1 0.651071 1.000000
S 1
1 0.0608000 1.0000000
P 1
1 0.0466000 1.0000000
D 1
1 0.1960000 1.0000000
CARBON
S 9
1 0.051344 0.013991
2 0.102619 0.169852
3 0.205100 0.397529
4 0.409924 0.380369
5 0.819297 0.180113
6 1.637494 -0.033512
7 3.272791 -0.121499
8 6.541187 0.015176
9 13.073594 -0.000705
S 1
1 0.127852 1.000000
P 9
1 0.029281 0.001787
2 0.058547 0.050426
3 0.117063 0.191634
4 0.234064 0.302667
5 0.468003 0.289868
6 0.935757 0.210979
7 1.871016 0.112024
8 3.741035 0.054425
9 7.480076 0.021931
P 1
1 0.149161 1.000000
D 1
1 0.561160 1.000000
S 1
1 0.0469000 1.0000000
P 1
1 0.0404100 1.0000000
D 1
1 0.1510000 1.0000000
OXYGEN
S 9
1 0.125346 0.055741
2 0.268022 0.304848
3 0.573098 0.453752
4 1.225429 0.295926
5 2.620277 0.019567
6 5.602818 -0.128627
7 11.980245 0.012024
8 25.616801 0.000407
9 54.775216 -0.000076
S 1
1 0.258551 1.000000
P 9
1 0.083598 0.044958
2 0.167017 0.150175
3 0.333673 0.255999
4 0.666627 0.281879
5 1.331816 0.242835
6 2.660761 0.161134
7 5.315785 0.082308
8 10.620108 0.039899
9 21.217318 0.004679
P 1
1 0.267865 1.000000
D 1
1 1.232753 1.000000
S 1
1 0.0789600 1.0000000
P 1
1 0.0685600 1.0000000
D 1
1 0.3320000 1.0000000
KRYPTON
S 9
1 0.129911 0.183453
2 0.282220 0.596016
3 0.613098 0.506410
4 1.331901 -0.150926
5 2.893437 -0.423611
6 6.285735 0.162644
7 13.655203 -0.023284
8 29.664719 0.003157
9 64.443973 -0.000422
S 1
1 0.634619 1.000000
P 9
1 0.079314 0.096705
2 0.167216 0.312567
3 0.352539 0.448237
4 0.743252 0.298640
5 1.566988 -0.003641
6 3.303659 -0.138798
7 6.965055 0.029989
8 14.684325 -0.002578
9 30.958748 0.000205
P 1
1 0.149902 1.000000
D 1
1 0.487932 1.000000
S 1
1 0.0651450 1.0000000
P 1
1 0.0466060 1.0000000
D 1
1 0.2155000 1.0000000
HYDROGEN
S 9
1 0.013000 0.000706
2 0.029900 -0.002119
3 0.068770 0.057693
4 0.158170 0.230695
5 0.363792 0.277612
6 0.836721 0.169833
7 1.924458 0.097443
8 4.426254 0.029966
9 10.180385 -0.000452
S 1
1 0.170483 1.000000
P 9
1 0.003000 0.001242
2 0.007800 -0.000913
3 0.020281 -0.000054
4 0.052730 -0.000238
5 0.137097 -0.011530
6 0.356451 -0.018235
7 0.926774 -0.013929
8 2.409612 -0.009395
9 6.264991 -0.000347
S 1
1 0.0297400 1.0000000
P 1
1 0.1410000 1.0000000
PHOSPHORUS
S 9
1 0.074718 0.140225
2 0.160834 0.506746
3 0.346202 0.499893
4 0.745215 0.037301
5 1.604109 -0.284591
6 3.452917 0.024766
7 7.432561 0.001798
8 15.998924 -0.000314
9 34.438408 0.000088
S 1
1 0.077260 1.000000
P 9
1 0.050242 0.072095
2 0.102391 0.278735
3 0.208669 0.411034
4 0.425256 0.304724
5 0.866651 0.091727
6 1.766191 -0.057060
7 3.599410 -0.005103
8 7.335418 0.000328
9 14.949217 -0.000046
P 1
1 0.113433 1.000000
D 1
1 0.390944 1.000000
S 1
1 0.0417000 1.0000000
P 1
1 0.0343000 1.0000000
D 1
1 0.1130000 1.0000000
SILICON
S 9
1 0.059887 0.167492
2 0.130108 0.532550
3 0.282668 0.464290
4 0.614115 -0.002322
5 1.334205 -0.268234
6 2.898645 0.031921
7 6.297493 -0.000106
8 13.681707 -0.000145
9 29.724387 0.000067
S 1
1 0.059803 1.000000
P 9
1 0.036525 0.078761
2 0.076137 0.308331
3 0.158712 0.417773
4 0.330843 0.281676
5 0.689658 0.069876
6 1.437625 -0.056306
7 2.996797 0.000744
8 6.246966 -0.000259
9 13.022097 -0.000022
P 1
1 0.081570 1.000000
D 1
1 0.283626 1.000000
S 1
1 0.0332000 1.0000000
P 1
1 0.0250000 1.0000000
D 1
1 0.0823000 1.0000000
ARGON
S 9
1 0.147347 0.155473
2 0.312164 0.494617
3 0.661339 0.526705
4 1.401090 0.021986
5 2.968301 -0.338533
6 6.288539 0.056023
7 13.322677 -0.000115
8 28.224956 -0.000595
9 59.796402 0.000127
S 1
1 0.147526 1.000000
P 9
1 0.090580 0.079101
2 0.188085 0.260718
3 0.390548 0.395065
4 0.810953 0.334954
5 1.683902 0.107462
6 3.496535 -0.073657
7 7.260371 -0.001407
8 15.075781 0.001710
9 31.304069 -0.000275
P 1
1 0.211798 1.000000
D 1
1 0.810888 1.000000
S 1
1 0.0709000 1.0000000
P 1
1 0.0533000 1.0000000
D 1
1 0.2400000 1.0000000
SODIUM
S 9
1 0.013061 0.200118
2 0.030041 0.467652
3 0.069092 0.227738
4 0.158908 -0.061581
5 0.365481 -0.137533
6 0.840589 0.003323
7 1.933315 0.003741
8 4.446533 -0.001117
9 10.226816 0.000244
S 1
1 0.865135 1.000000
P 9
1 0.002593 -0.002840
2 0.006741 0.005340
3 0.017525 -0.025936
4 0.045563 -0.053466
5 0.118461 -0.053691
6 0.307987 0.014439
7 0.800738 0.006199
8 2.081847 -0.001026
9 5.412617 0.000168
P 1
1 0.106025 1.000000
D 1
1 0.050790 1.000000
S 1
1 0.0072500 1.0000000
P 1
1 0.0063300 1.0000000
D 1
1 0.0468000 1.0000000
BERYLLIUM
S 9
1 0.030068 0.025105
2 0.054002 0.178890
3 0.096986 0.263939
4 0.174186 0.435946
5 0.312836 -0.008188
6 0.561850 0.049509
7 1.009077 -0.114576
8 1.812290 -0.067207
9 3.254852 0.017250
S 1
1 0.239392 1.000000
P 9
1 0.015064 0.735052
2 0.028584 -0.476214
3 0.054236 0.564806
4 0.102911 -0.108575
5 0.195269 0.233862
6 0.370513 -0.009003
7 0.703030 0.067510
8 1.333967 -0.002868
9 2.531139 0.017869
P 1
1 0.222969 1.000000
D 1
1 0.217340 1.000000
S 1
1 0.0187700 1.0000000
P 1
1 0.0085000 1.0000000
D 1
1 0.0740000 1.0000000
SELENIUM
S 9
1 0.096883 0.200965
2 0.217674 0.615093
3 0.489067 0.462636
4 1.098828 -0.204179
5 2.468828 -0.307584
6 5.546920 0.109895
7 12.462726 -0.012288
8 28.001040 0.001205
9 62.912258 -0.000132
S 1
1 0.062467 1.000000
P 9
1 0.056147 0.073504
2 0.122259 0.334692
3 0.266220 0.473323
4 0.579694 0.276571
5 1.262286 -0.032356
6 2.748631 -0.103709
7 5.985152 0.020181
8 13.032685 -0.001095
9 28.378708 0.000019
P 1
1 0.107381 1.000000
D 1
1 0.348649 1.000000
S 1
1 0.0487470 1.0000000
P 1
1 0.0354920 1.0000000
D 1
1 0.1283000 1.0000000
SULFUR
S 9
1 0.095120 0.140074
2 0.202385 0.490942
3 0.430611 0.515297
4 0.916203 0.050320
5 1.949388 -0.298908
6 4.147674 0.019827
7 8.824926 0.007266
8 18.776623 -0.001602
9 39.950656 0.000271
S 1
1 0.098454 1.000000
P 9
1 0.057087 0.081938
2 0.115901 0.251826
3 0.235305 0.376344
4 0.477723 0.320902
5 0.969889 0.143779
6 1.969099 -0.045543
7 3.997726 -0.017191
8 8.116307 0.002580
9 16.477979 -0.000222
P 1
1 0.128926 1.000000
D 1
1 0.514135 1.000000
S 1
1 0.0507000 1.0000000
P 1
1 0.0399000 1.0000000
D 1
1 0.1520000 1.0000000
HELIUM
S 9
1 0.077786 0.012425
2 0.161528 0.128251
3 0.335425 0.282221
4 0.696535 0.292427
5 1.446408 0.215025
6 3.003576 0.125450
7 6.237154 0.064912
8 12.951926 0.038892
9 26.895662 0.002531
S 1
1 0.321750 1.000000
P 8
1 0.228528 -0.000116
2 0.422019 2.116950
3 0.779333 -2.182954
4 1.439180 1.545850
5 2.657706 -0.879477
6 4.907934 0.469710
7 9.063386 -0.224631
8 16.737180 0.098422
S 1
1 0.0725500 1.0000000
P 1
1 0.2473000 1.0000000

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basis/aug-cc-pvdz_ecp_ncsu Normal file
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5689
basis/aug-cc-pvqz Normal file
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3379
basis/aug-cc-pvqz-nr Normal file
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5723
basis/aug-cc-pvqz-pp Normal file
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988
basis/aug-cc-pvqz_ecp_bfd Normal file
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@ -0,0 +1,988 @@
LITHIUM
S 9
1 0.010125 0.007841
2 0.023437 0.258118
3 0.054251 0.423307
4 0.125581 0.167825
5 0.290697 -0.068332
6 0.672909 -0.119269
7 1.557659 0.007736
8 3.605689 0.003630
9 8.346494 -0.000646
S 1
1 0.024834 1.000000
S 1
1 0.109770 1.000000
S 1
1 0.519693 1.000000
P 9
1 0.018300 -0.005906
2 0.031699 -0.031422
3 0.054908 -0.043628
4 0.095111 -0.016781
5 0.164751 -0.078594
6 0.285379 0.015562
7 0.494330 -0.030830
8 0.856273 0.006185
9 1.483225 -0.008621
P 1
1 0.070662 1.000000
P 1
1 0.115823 1.000000
P 1
1 0.207505 1.000000
D 1
1 0.029817 1.000000
D 1
1 0.089353 1.000000
D 1
1 0.214990 1.000000
F 1
1 0.099930 1.000000
F 1
1 0.240323 1.000000
G 1
1 0.199570 1.000000
S 1
1 0.0063600 1.0000000
P 1
1 0.0075600 1.0000000
D 1
1 0.0266000 1.0000000
F 1
1 0.0552000 1.0000000
G 1
1 0.1050000 1.0000000
NEON
S 9
1 0.205835 0.057514
2 0.391384 0.215776
3 0.744196 0.374799
4 1.415048 0.326313
5 2.690638 0.166383
6 5.116103 -0.039149
7 9.727994 -0.085909
8 18.497256 0.006816
9 35.171534 0.000206
S 1
1 0.399186 1.000000
S 1
1 1.658402 1.000000
S 1
1 2.261159 1.000000
P 9
1 0.121772 0.029943
2 0.238248 0.114200
3 0.466136 0.219618
4 0.912002 0.268864
5 1.784344 0.256932
6 3.491095 0.191378
7 6.830378 0.112176
8 13.363732 0.063317
9 26.146332 0.008057
P 1
1 0.245215 1.000000
P 1
1 0.757342 1.000000
P 1
1 1.938376 1.000000
D 1
1 0.738131 1.000000
D 1
1 2.188751 1.000000
D 1
1 6.170224 1.000000
F 1
1 1.589986 1.000000
F 1
1 4.849402 1.000000
G 1
1 3.228793 1.000000
S 1
1 0.1054000 1.0000000
P 1
1 0.0817800 1.0000000
D 1
1 0.2730000 1.0000000
F 1
1 0.6890000 1.0000000
G 1
1 1.2240000 1.0000000
BORON
S 9
1 0.040569 0.032031
2 0.081044 0.243317
3 0.161898 0.434636
4 0.323418 0.329581
5 0.646080 0.111875
6 1.290648 -0.078699
7 2.578276 -0.098781
8 5.150520 0.016164
9 10.288990 -0.000016
S 1
1 0.082968 1.000000
S 1
1 0.305133 1.000000
S 1
1 0.422217 1.000000
P 9
1 0.029207 0.019909
2 0.058408 0.141775
3 0.116803 0.294463
4 0.233582 0.309028
5 0.467115 0.236378
6 0.934132 0.131317
7 1.868068 0.066454
8 3.735743 0.021248
9 7.470701 0.002837
P 1
1 0.066445 1.000000
P 1
1 0.196614 1.000000
P 1
1 0.447031 1.000000
D 1
1 0.149100 1.000000
D 1
1 0.410733 1.000000
D 1
1 1.142614 1.000000
F 1
1 0.315902 1.000000
F 1
1 0.870011 1.000000
G 1
1 0.710746 1.000000
S 1
1 0.0272100 1.0000000
P 1
1 0.0187800 1.0000000
D 1
1 0.0466000 1.0000000
F 1
1 0.1130000 1.0000000
G 1
1 0.2730000 1.0000000
ALUMINUM
S 9
1 0.045518 0.206193
2 0.100308 0.559887
3 0.221051 0.407852
4 0.487132 -0.041098
5 1.073500 -0.238652
6 2.365686 0.038132
7 5.213294 -0.003935
8 11.488606 0.000470
9 25.317597 -0.000014
S 1
1 0.058688 1.000000
S 1
1 0.150215 1.000000
S 1
1 0.324193 1.000000
P 9
1 0.014848 0.009932
2 0.030967 0.160212
3 0.064586 0.389171
4 0.134700 0.373235
5 0.280932 0.195800
6 0.585913 0.022947
7 1.221985 -0.053293
8 2.548578 0.004846
9 5.315330 -0.000726
P 1
1 0.034866 1.000000
P 1
1 0.403929 1.000000
P 1
1 0.084117 1.000000
D 1
1 0.092392 1.000000
D 1
1 0.245212 1.000000
D 1
1 0.726318 1.000000
F 1
1 0.160909 1.000000
F 1
1 0.409285 1.000000
G 1
1 0.352027 1.000000
S 1
1 0.0183000 1.0000000
P 1
1 0.0121000 1.0000000
D 1
1 0.0282000 1.0000000
F 1
1 0.0582000 1.0000000
G 1
1 0.1530000 1.0000000
MAGNESIUM
S 9
1 0.030975 0.165290
2 0.062959 0.506272
3 0.127970 0.333197
4 0.260111 0.057482
5 0.528700 -0.137614
6 1.074630 -0.135378
7 2.184285 0.048310
8 4.439759 -0.005312
9 9.024217 0.000465
S 1
1 0.023378 1.000000
S 1
1 0.188141 1.000000
S 1
1 0.616205 1.000000
P 9
1 0.047055 1.502038
2 0.083253 -1.433944
3 0.147298 1.318987
4 0.260611 -0.741124
5 0.461094 0.436300
6 0.815803 -0.243798
7 1.443383 0.086774
8 2.553745 -0.028677
9 4.518286 0.006085
P 1
1 0.089167 1.000000
P 1
1 0.209210 1.000000
P 1
1 0.846859 1.000000
D 1
1 0.095526 1.000000
D 1
1 0.734089 1.000000
D 1
1 0.233222 1.000000
F 1
1 0.127025 1.000000
F 1
1 0.304907 1.000000
G 1
1 0.192272 1.000000
S 1
1 0.0123900 1.0000000
P 1
1 0.0070600 1.0000000
D 1
1 0.0382000 1.0000000
F 1
1 0.0700000 1.0000000
G 1
1 0.1480000 1.0000000
NITROGEN
S 9
1 0.098869 0.067266
2 0.211443 0.334290
3 0.452197 0.454257
4 0.967080 0.267861
5 2.068221 0.000248
6 4.423150 -0.132606
7 9.459462 0.014437
8 20.230246 0.000359
9 43.264919 -0.000094
S 1
1 0.135764 1.000000
S 1
1 0.310826 1.000000
S 1
1 1.625001 1.000000
P 9
1 0.073234 0.035758
2 0.145867 0.153945
3 0.290535 0.277656
4 0.578683 0.297676
5 1.152612 0.234403
6 2.295756 0.140321
7 4.572652 0.067219
8 9.107739 0.031594
9 18.140657 0.003301
P 1
1 0.140736 1.000000
P 1
1 0.413103 1.000000
P 1
1 1.020750 1.000000
D 1
1 0.346233 1.000000
D 1
1 1.009895 1.000000
D 1
1 3.028459 1.000000
F 1
1 0.691129 1.000000
F 1
1 2.024747 1.000000
G 1
1 1.357512 1.000000
S 1
1 0.0546400 1.0000000
P 1
1 0.0440200 1.0000000
D 1
1 0.1110000 1.0000000
F 1
1 0.2450000 1.0000000
G 1
1 0.5590000 1.0000000
FLUORINE
S 9
1 0.172723 0.070240
2 0.364875 0.311088
3 0.770795 0.444675
4 1.628295 0.287011
5 3.439757 0.018759
6 7.266451 -0.128608
7 15.350300 0.009104
8 32.427348 0.000810
9 68.502433 -0.000133
S 1
1 0.294345 1.000000
S 1
1 1.048013 1.000000
S 1
1 1.705653 1.000000
P 9
1 0.101001 0.035321
2 0.204414 0.136924
3 0.413707 0.249353
4 0.837289 0.286620
5 1.694565 0.254541
6 3.429580 0.169572
7 6.941026 0.088542
8 14.047737 0.039843
9 28.430799 0.003378
P 1
1 0.205806 1.000000
P 1
1 0.647240 1.000000
P 1
1 1.650688 1.000000
D 1
1 0.587354 1.000000
D 1
1 1.724392 1.000000
D 1
1 4.998085 1.000000
F 1
1 1.178147 1.000000
F 1
1 3.694285 1.000000
G 1
1 2.406583 1.000000
S 1
1 0.0859400 1.0000000
P 1
1 0.0656800 1.0000000
D 1
1 0.2070000 1.0000000
F 1
1 0.4600000 1.0000000
G 1
1 0.9240000 1.0000000
CHLORINE
S 9
1 0.119944 0.148917
2 0.257348 0.503616
3 0.552157 0.523995
4 1.184691 0.013612
5 2.541836 -0.328846
6 5.453681 0.056309
7 11.701243 -0.001301
8 25.105812 -0.000294
9 53.866226 0.000076
S 1
1 0.161594 1.000000
S 1
1 0.440111 1.000000
S 1
1 0.848928 1.000000
P 9
1 0.074374 0.084925
2 0.155084 0.270658
3 0.323378 0.396022
4 0.674303 0.324325
5 1.406043 0.100661
6 2.931855 -0.069802
7 6.113450 -0.000951
8 12.747651 0.001501
9 26.581165 -0.000249
P 1
1 0.111309 1.000000
P 1
1 1.286881 1.000000
P 1
1 0.289403 1.000000
D 1
1 0.253063 1.000000
D 1
1 0.642589 1.000000
D 1
1 1.654717 1.000000
F 1
1 0.448175 1.000000
F 1
1 1.189807 1.000000
G 1
1 0.848307 1.000000
S 1
1 0.0519000 1.0000000
P 1
1 0.0376000 1.0000000
D 1
1 0.0952000 1.0000000
F 1
1 0.2170000 1.0000000
G 1
1 0.3780000 1.0000000
CARBON
S 9
1 0.051344 0.013991
2 0.102619 0.169852
3 0.205100 0.397529
4 0.409924 0.380369
5 0.819297 0.180113
6 1.637494 -0.033512
7 3.272791 -0.121499
8 6.541187 0.015176
9 13.073594 -0.000705
S 1
1 0.109576 1.000000
S 1
1 0.846879 1.000000
S 1
1 0.269659 1.000000
P 9
1 0.029281 0.001787
2 0.058547 0.050426
3 0.117063 0.191634
4 0.234064 0.302667
5 0.468003 0.289868
6 0.935757 0.210979
7 1.871016 0.112024
8 3.741035 0.054425
9 7.480076 0.021931
P 1
1 0.105389 1.000000
P 1
1 0.313254 1.000000
P 1
1 0.804681 1.000000
D 1
1 0.240171 1.000000
D 1
1 0.684884 1.000000
D 1
1 2.013760 1.000000
F 1
1 0.457302 1.000000
F 1
1 1.324930 1.000000
G 1
1 1.034180 1.000000
S 1
1 0.0414500 1.0000000
P 1
1 0.0321800 1.0000000
D 1
1 0.0766000 1.0000000
F 1
1 0.1870000 1.0000000
G 1
1 0.4240000 1.0000000
OXYGEN
S 9
1 0.125346 0.055741
2 0.268022 0.304848
3 0.573098 0.453752
4 1.225429 0.295926
5 2.620277 0.019567
6 5.602818 -0.128627
7 11.980245 0.012024
8 25.616801 0.000407
9 54.775216 -0.000076
S 1
1 0.224380 1.000000
S 1
1 0.843157 1.000000
S 1
1 1.351771 1.000000
P 9
1 0.083598 0.044958
2 0.167017 0.150175
3 0.333673 0.255999
4 0.666627 0.281879
5 1.331816 0.242835
6 2.660761 0.161134
7 5.315785 0.082308
8 10.620108 0.039899
9 21.217318 0.004679
P 1
1 0.148562 1.000000
P 1
1 0.452364 1.000000
P 1
1 1.106737 1.000000
D 1
1 0.455711 1.000000
D 1
1 1.344331 1.000000
D 1
1 4.008867 1.000000
F 1
1 0.876289 1.000000
F 1
1 2.763115 1.000000
G 1
1 1.759081 1.000000
S 1
1 0.0695900 1.0000000
P 1
1 0.0534800 1.0000000
D 1
1 0.1540000 1.0000000
F 1
1 0.3240000 1.0000000
G 1
1 0.7140000 1.0000000
HYDROGEN
S 9
1 0.013000 0.000706
2 0.029900 -0.002119
3 0.068770 0.057693
4 0.158170 0.230695
5 0.363792 0.277612
6 0.836721 0.169833
7 1.924458 0.097443
8 4.426254 0.029966
9 10.180385 -0.000452
S 1
1 0.120599 1.000000
S 1
1 0.404783 1.000000
S 1
1 0.715129 1.000000
P 9
1 0.003000 0.001242
2 0.007800 -0.000913
3 0.020281 -0.000054
4 0.052730 -0.000238
5 0.137097 -0.011530
6 0.356451 -0.018235
7 0.926774 -0.013929
8 2.409612 -0.009395
9 6.264991 -0.000347
P 1
1 0.774536 1.000000
P 1
1 0.263038 1.000000
D 1
1 2.315883 1.000000
D 1
1 0.636656 1.000000
F 1
1 1.130819 1.000000
S 1
1 0.0236300 1.0000000
P 1
1 0.0848000 1.0000000
D 1
1 0.1900000 1.0000000
F 1
1 0.3600000 1.0000000
PHOSPHORUS
S 9
1 0.074718 0.140225
2 0.160834 0.506746
3 0.346202 0.499893
4 0.745215 0.037301
5 1.604109 -0.284591
6 3.452917 0.024766
7 7.432561 0.001798
8 15.998924 -0.000314
9 34.438408 0.000088
S 1
1 0.098851 1.000000
S 1
1 0.255593 1.000000
S 1
1 0.546057 1.000000
P 9
1 0.050242 0.072095
2 0.102391 0.278735
3 0.208669 0.411034
4 0.425256 0.304724
5 0.866651 0.091727
6 1.766191 -0.057060
7 3.599410 -0.005103
8 7.335418 0.000328
9 14.949217 -0.000046
P 1
1 0.074522 1.000000
P 1
1 0.764539 1.000000
P 1
1 0.182211 1.000000
D 1
1 0.186505 1.000000
D 1
1 0.502400 1.000000
D 1
1 1.576445 1.000000
F 1
1 0.280702 1.000000
F 1
1 0.719161 1.000000
G 1
1 0.599144 1.000000
S 1
1 0.0354000 1.0000000
P 1
1 0.0272000 1.0000000
D 1
1 0.0594000 1.0000000
F 1
1 0.1090000 1.0000000
G 1
1 0.2500000 1.0000000
SILICON
S 9
1 0.059887 0.167492
2 0.130108 0.532550
3 0.282668 0.464290
4 0.614115 -0.002322
5 1.334205 -0.268234
6 2.898645 0.031921
7 6.297493 -0.000106
8 13.681707 -0.000145
9 29.724387 0.000067
S 1
1 0.079900 1.000000
S 1
1 0.206024 1.000000
S 1
1 0.435017 1.000000
P 9
1 0.036525 0.078761
2 0.076137 0.308331
3 0.158712 0.417773
4 0.330843 0.281676
5 0.689658 0.069876
6 1.437625 -0.056306
7 2.996797 0.000744
8 6.246966 -0.000259
9 13.022097 -0.000022
P 1
1 0.054575 1.000000
P 1
1 0.599112 1.000000
P 1
1 0.134681 1.000000
D 1
1 0.133118 1.000000
D 1
1 0.350967 1.000000
D 1
1 1.063961 1.000000
F 1
1 0.211319 1.000000
F 1
1 0.535932 1.000000
G 1
1 0.465365 1.000000
S 1
1 0.0275000 1.0000000
P 1
1 0.0200000 1.0000000
D 1
1 0.0435000 1.0000000
F 1
1 0.0846000 1.0000000
G 1
1 0.2120000 1.0000000
ARGON
S 9
1 0.147347 0.155473
2 0.312164 0.494617
3 0.661339 0.526705
4 1.401090 0.021986
5 2.968301 -0.338533
6 6.288539 0.056023
7 13.322677 -0.000115
8 28.224956 -0.000595
9 59.796402 0.000127
S 1
1 0.196024 1.000000
S 1
1 0.540061 1.000000
S 1
1 1.020348 1.000000
P 9
1 0.090580 0.079101
2 0.188085 0.260718
3 0.390548 0.395065
4 0.810953 0.334954
5 1.683902 0.107462
6 3.496535 -0.073657
7 7.260371 -0.001407
8 15.075781 0.001710
9 31.304069 -0.000275
P 1
1 0.140701 1.000000
P 1
1 1.604300 1.000000
P 1
1 0.367738 1.000000
D 1
1 0.304103 1.000000
D 1
1 0.760464 1.000000
D 1
1 1.900944 1.000000
F 1
1 0.583628 1.000000
F 1
1 1.480507 1.000000
G 1
1 1.030824 1.000000
S 1
1 0.0610000 1.0000000
P 1
1 0.0435000 1.0000000
D 1
1 0.1160000 1.0000000
F 1
1 0.2940000 1.0000000
G 1
1 0.4590000 1.0000000
SODIUM
S 9
1 0.013061 0.200118
2 0.030041 0.467652
3 0.069092 0.227738
4 0.158908 -0.061581
5 0.365481 -0.137533
6 0.840589 0.003323
7 1.933315 0.003741
8 4.446533 -0.001117
9 10.226816 0.000244
S 1
1 0.064915 1.000000
S 1
1 1.134458 1.000000
S 1
1 0.771046 1.000000
P 9
1 0.002593 -0.002840
2 0.006741 0.005340
3 0.017525 -0.025936
4 0.045563 -0.053466
5 0.118461 -0.053691
6 0.307987 0.014439
7 0.800738 0.006199
8 2.081847 -0.001026
9 5.412617 0.000168
P 1
1 0.059662 1.000000
P 1
1 0.096714 1.000000
P 1
1 0.552976 1.000000
D 1
1 0.046917 1.000000
D 1
1 0.813868 1.000000
D 1
1 0.127780 1.000000
F 1
1 0.129992 1.000000
F 1
1 0.626429 1.000000
G 1
1 0.588778 1.000000
S 1
1 0.0050300 1.0000000
P 1
1 0.0077200 1.0000000
D 1
1 0.0210000 1.0000000
F 1
1 0.0453000 1.0000000
G 1
1 0.0866000 1.0000000
BERYLLIUM
S 9
1 0.030068 0.025105
2 0.054002 0.178890
3 0.096986 0.263939
4 0.174186 0.435946
5 0.312836 -0.008188
6 0.561850 0.049509
7 1.009077 -0.114576
8 1.812290 -0.067207
9 3.254852 0.017250
S 1
1 0.012287 1.000000
S 1
1 0.175341 1.000000
S 1
1 1.244398 1.000000
P 9
1 0.015064 0.735052
2 0.028584 -0.476214
3 0.054236 0.564806
4 0.102911 -0.108575
5 0.195269 0.233862
6 0.370513 -0.009003
7 0.703030 0.067510
8 1.333967 -0.002868
9 2.531139 0.017869
P 1
1 0.317061 1.000000
P 1
1 1.585739 1.000000
P 1
1 0.108346 1.000000
D 1
1 0.125228 1.000000
D 1
1 0.801065 1.000000
D 1
1 0.301656 1.000000
F 1
1 0.153439 1.000000
F 1
1 0.377536 1.000000
G 1
1 0.338801 1.000000
S 1
1 0.0143900 1.0000000
P 1
1 0.0065000 1.0000000
D 1
1 0.0554000 1.0000000
F 1
1 0.0930000 1.0000000
G 1
1 0.1834000 1.0000000
SULFUR
S 9
1 0.095120 0.140074
2 0.202385 0.490942
3 0.430611 0.515297
4 0.916203 0.050320
5 1.949388 -0.298908
6 4.147674 0.019827
7 8.824926 0.007266
8 18.776623 -0.001602
9 39.950656 0.000271
S 1
1 0.123759 1.000000
S 1
1 0.315587 1.000000
S 1
1 0.651905 1.000000
P 9
1 0.057087 0.081938
2 0.115901 0.251826
3 0.235305 0.376344
4 0.477723 0.320902
5 0.969889 0.143779
6 1.969099 -0.045543
7 3.997726 -0.017191
8 8.116307 0.002580
9 16.477979 -0.000222
P 1
1 0.078717 1.000000
P 1
1 0.202707 1.000000
P 1
1 0.301333 1.000000
D 1
1 0.215701 1.000000
D 1
1 0.560638 1.000000
D 1
1 1.588204 1.000000
F 1
1 0.356554 1.000000
F 1
1 0.961826 1.000000
G 1
1 0.694803 1.000000
S 1
1 0.0428000 1.0000000
P 1
1 0.0317000 1.0000000
D 1
1 0.0748000 1.0000000
F 1
1 0.1400000 1.0000000
G 1
1 0.2970000 1.0000000
HELIUM
S 9
1 0.077786 0.012425
2 0.161528 0.128251
3 0.335425 0.282221
4 0.696535 0.292427
5 1.446408 0.215025
6 3.003576 0.125450
7 6.237154 0.064912
8 12.951926 0.038892
9 26.895662 0.002531
S 1
1 0.937228 1.000000
S 1
1 1.223567 1.000000
S 1
1 0.229163 1.000000
P 8
1 0.228528 -0.000116
2 0.422019 2.116950
3 0.779333 -2.182954
4 1.439180 1.545850
5 2.657706 -0.879477
6 4.907934 0.469710
7 9.063386 -0.224631
8 16.737180 0.098422
P 1
1 3.888767 1.000000
P 1
1 1.015492 1.000000
D 1
1 0.939402 1.000000
D 1
1 3.054371 1.000000
F 1
1 1.021427 1.000000
S 1
1 0.0481900 1.0000000
P 1
1 0.1626000 1.0000000
D 1
1 0.3510000 1.0000000
F 1
1 0.6906000 1.0000000

2910
basis/aug-cc-pvqz_ecp_ncsu Normal file
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File diff suppressed because it is too large Load Diff

563
basis/aug-cc-pvqz_sbd Normal file
View File

@ -0,0 +1,563 @@
GALLIUM
S 11
1 183.6812990 0.0000460
2 101.6371440 -0.0002650
3 56.2393070 0.0009720
4 31.1191320 -0.0033350
5 17.2192800 0.0135370
6 9.5280160 -0.0602290
7 5.2721770 0.1745210
8 2.9172760 -0.1409590
9 1.6142290 -0.1325860
10 0.8932080 -0.1725520
11 0.2128450 0.4708480
S 1
1 0.4934650 1.0000000
S 1
1 0.0442640 1.0000000
S 1
1 0.0976160 1.0000000
S 1
1 0.0142880 1.0000000
P 7
1 16.3427320 0.0006170
2 9.0348110 -0.0063630
3 4.9947470 0.0317160
4 2.7612640 -0.0473460
5 1.5265190 -0.0485180
6 0.8439110 -0.0000290
7 0.1428090 0.3992510
P 1
1 0.3257830 1.0000000
P 1
1 0.0274030 1.0000000
P 1
1 0.0628660 1.0000000
P 1
1 0.0086370 1.0000000
D 1
1 0.4333420 1.0000000
D 1
1 0.1885190 1.0000000
D 1
1 0.0820120 1.0000000
D 1
1 0.0290170 1.0000000
F 1
1 0.4912310 1.0000000
F 1
1 0.1774170 1.0000000
F 1
1 0.0633370 1.0000000
G 1
1 0.3969130 1.0000000
G 1
1 0.1689980 1.0000000
GERMANIUM
S 11
1 592.2227540 -0.0000190
2 299.5004840 0.0001000
3 151.4641900 -0.0003130
4 76.5988780 0.0008530
5 38.7377900 -0.0024180
6 19.5905800 0.0087550
7 9.9074010 -0.0432530
8 5.0103970 0.1713900
9 2.5338720 -0.2158420
10 1.2814360 -0.2356390
11 0.3085610 0.4601100
S 1
1 0.5804130 1.0000000
S 1
1 0.0612490 1.0000000
S 1
1 0.1385560 1.0000000
S 1
1 0.0220260 1.0000000
P 7
1 39.8392630 -0.0000910
2 19.8113590 0.0007200
3 9.8518380 -0.0055920
4 4.8991440 0.0369160
5 2.4362580 -0.0945060
6 1.2115080 -0.0406190
7 0.2001130 0.4233010
P 1
1 0.4381410 1.0000000
P 1
1 0.0394470 1.0000000
P 1
1 0.0899340 1.0000000
P 1
1 0.0142970 1.0000000
D 1
1 0.5165310 1.0000000
D 1
1 0.2347290 1.0000000
D 1
1 0.1066690 1.0000000
D 1
1 0.0435390 1.0000000
F 1
1 0.5726360 1.0000000
F 1
1 0.2202010 1.0000000
F 1
1 0.0878230 1.0000000
G 1
1 0.4633960 1.0000000
G 1
1 0.2181000 1.0000000
ARSENIC
S 11
1 496.0746690 0.0000290
2 251.7883940 -0.0000020
3 127.7980900 0.0000320
4 64.8653880 0.0002310
5 32.9231720 -0.0004030
6 16.7105340 0.0027270
7 8.4816230 -0.0190750
8 4.3049450 0.1361090
9 2.1850240 -0.2911950
10 1.1090340 -0.2076360
11 0.1284130 0.4033810
S 1
1 0.2578990 1.0000000
S 1
1 0.0624670 1.0000000
S 1
1 0.5075100 1.0000000
S 1
1 0.0304900 1.0000000
P 7
1 41.4842770 -0.0000540
2 20.4337600 0.0004690
3 10.0649830 -0.0040960
4 4.9576720 0.0352440
5 2.4419830 -0.1155690
6 1.2028380 -0.0371340
7 0.1131620 0.3909370
P 1
1 0.2455840 1.0000000
P 1
1 0.0505590 1.0000000
P 1
1 0.5249080 1.0000000
P 1
1 0.0183930 1.0000000
D 1
1 1.3218810 1.0000000
D 1
1 0.4872570 1.0000000
D 1
1 0.1796070 1.0000000
D 1
1 0.0658230 1.0000000
F 1
1 0.6876290 1.0000000
F 1
1 0.2723920 1.0000000
F 1
1 0.1091440 1.0000000
G 1
1 0.5534560 1.0000000
G 1
1 0.2340840 1.0000000
SELENIUM
S 11
1 522.2066270 0.0000120
2 268.1260450 0.0000290
3 137.6688310 -0.0000860
4 70.6858120 0.0004230
5 36.2935020 -0.0011160
6 18.6348330 0.0049530
7 9.5680210 -0.0318050
8 4.9126830 0.1821030
9 2.5224080 -0.3325320
10 1.2951260 -0.2403320
11 0.0751520 0.0818210
S 1
1 0.3134160 1.0000000
S 1
1 0.6044890 1.0000000
S 1
1 0.1564510 1.0000000
S 1
1 0.0570320 1.0000000
P 7
1 38.7220300 0.0001650
2 18.8022560 0.0001260
3 9.1298120 -0.0001570
4 4.4331630 0.0173710
5 2.1526110 -0.1135640
6 1.0452430 0.0166320
7 0.0539470 0.0868900
P 1
1 0.2546820 1.0000000
P 1
1 0.5326430 1.0000000
P 1
1 0.1191950 1.0000000
P 1
1 0.0380630 1.0000000
D 1
1 1.5318250 1.0000000
D 1
1 0.5677030 1.0000000
D 1
1 0.2103940 1.0000000
D 1
1 0.0792440 1.0000000
F 1
1 0.7744320 1.0000000
F 1
1 0.2975330 1.0000000
F 1
1 0.1277090 1.0000000
G 1
1 0.5828320 1.0000000
G 1
1 0.2694910 1.0000000
BROMINE
S 11
1 762.0066790 0.0000520
2 376.6365900 -0.0000230
3 186.1599440 0.0001490
4 92.0131660 0.0001420
5 45.4792930 0.0001820
6 22.4790230 0.0014490
7 11.1106930 -0.0118330
8 5.4916760 0.1119000
9 2.7143670 -0.2561560
10 1.3416290 -0.4007910
11 0.0901270 0.0897840
S 1
1 0.3988620 1.0000000
S 1
1 0.9528400 1.0000000
S 1
1 0.1919290 1.0000000
S 1
1 0.0708980 1.0000000
P 7
1 77.0646890 0.0000120
2 33.1900760 0.0001780
3 14.2942400 -0.0008620
4 6.1562170 0.0165350
5 2.6513480 -0.1173210
6 1.1418780 -0.0129850
7 0.0641740 0.0906150
P 1
1 0.3131070 1.0000000
P 1
1 0.1442090 1.0000000
P 1
1 0.6656170 1.0000000
P 1
1 0.0469860 1.0000000
D 1
1 0.6420240 1.0000000
D 1
1 0.3557380 1.0000000
D 1
1 0.1971100 1.0000000
D 1
1 0.1230070 1.0000000
F 1
1 0.9173490 1.0000000
F 1
1 0.3599340 1.0000000
F 1
1 0.1821610 1.0000000
G 1
1 0.6655780 1.0000000
G 1
1 0.3196180 1.0000000
INDIUM
S 11
1 260.4103720 0.0000290
2 140.3828170 -0.0000600
3 75.6779970 0.0001780
4 40.7967250 -0.0002890
5 21.9928230 0.0008310
6 11.8559580 -0.0019540
7 6.3913460 0.0082930
8 3.4454660 -0.0518320
9 1.8573920 0.2843780
10 1.0012890 -0.5640840
11 0.2006590 0.4696610
S 1
1 0.5397780 1.0000000
S 1
1 0.0408800 1.0000000
S 1
1 0.0910510 1.0000000
S 1
1 0.0143600 1.0000000
P 7
1 48.6768460 0.0000410
2 22.0983850 -0.0002010
3 10.0322570 0.0008460
4 4.5544590 -0.0048970
5 2.0676400 0.0400620
6 0.9386700 -0.1697800
7 0.1658410 0.3708640
P 1
1 0.4261390 1.0000000
P 1
1 0.0281940 1.0000000
P 1
1 0.0683640 1.0000000
P 1
1 0.0091890 1.0000000
D 1
1 0.6271790 1.0000000
D 1
1 0.2358160 1.0000000
D 1
1 0.0886660 1.0000000
D 1
1 0.0296980 1.0000000
F 1
1 0.3952170 1.0000000
F 1
1 0.1467980 1.0000000
F 1
1 0.0552910 1.0000000
G 1
1 0.3239900 1.0000000
G 1
1 0.1443600 1.0000000
TIN
S 11
1 38.4899420 0.0001220
2 24.2856410 -0.0006380
3 15.3232850 0.0025740
4 9.6683900 -0.0108040
5 6.1003740 0.0552060
6 3.8490960 -0.2612420
7 2.4286290 0.7008960
8 1.5323690 -0.6044690
9 0.9668650 -0.2359100
10 0.6100540 -0.1507990
11 0.1866400 0.5652490
S 1
1 0.3849200 1.0000000
S 1
1 0.0444900 1.0000000
S 1
1 0.0920920 1.0000000
S 1
1 0.0124370 1.0000000
P 7
1 60.2212000 0.0000420
2 27.5393180 -0.0002100
3 12.5938050 0.0009210
4 5.7591810 -0.0056980
5 2.6336890 0.0451000
6 1.2043930 -0.1728060
7 0.2244350 0.3889450
P 1
1 0.5507720 1.0000000
P 1
1 0.0396340 1.0000000
P 1
1 0.0951810 1.0000000
P 1
1 0.0146980 1.0000000
D 1
1 0.2938450 1.0000000
D 1
1 0.1610550 1.0000000
D 1
1 0.0882730 1.0000000
D 1
1 0.0444880 1.0000000
F 1
1 0.4556300 1.0000000
F 1
1 0.1767360 1.0000000
F 1
1 0.0738380 1.0000000
G 1
1 0.3591600 1.0000000
G 1
1 0.1751010 1.0000000
ANTIMONY
S 11
1 134.4073070 -0.0000050
2 78.1665010 0.0001560
3 45.4588520 -0.0006210
4 26.4372480 0.0020130
5 15.3749620 -0.0061710
6 8.9415300 0.0238200
7 5.2000750 -0.1121760
8 3.0241780 0.3682080
9 1.7587540 -0.3713390
10 1.0228290 -0.3157270
11 0.5948410 0.0000160
S 1
1 0.0598450 1.0000000
S 1
1 0.2706150 1.0000000
S 1
1 0.1285220 1.0000000
S 1
1 0.0244390 1.0000000
P 7
1 53.7217630 0.0000530
2 25.4683320 -0.0002790
3 12.0739880 0.0012910
4 5.7240180 -0.0084230
5 2.7136340 0.0629900
6 1.2864750 -0.2177580
7 0.2681730 0.4242890
P 1
1 0.6098900 1.0000000
P 1
1 0.0500490 1.0000000
P 1
1 0.1174810 1.0000000
P 1
1 0.0182360 1.0000000
D 1
1 0.8023570 1.0000000
D 1
1 0.3301090 1.0000000
D 1
1 0.1358150 1.0000000
D 1
1 0.0512360 1.0000000
F 1
1 0.5423170 1.0000000
F 1
1 0.2149260 1.0000000
F 1
1 0.0890460 1.0000000
G 1
1 0.4148900 1.0000000
G 1
1 0.1854140 1.0000000
TELLURIUM
S 12
1 356.2703560 0.0000780
2 200.2259260 -0.0001580
3 112.5280860 0.0004070
4 63.2414120 -0.0005760
5 35.5420260 0.0013890
6 19.9748170 -0.0026460
7 11.2259580 0.0089500
8 6.3090510 -0.0437500
9 3.5457220 0.1842070
10 1.9927150 -0.1940200
11 1.1199170 -0.3627430
12 0.0680180 0.1275080
S 1
1 0.3022750 1.0000000
S 1
1 0.6333530 1.0000000
S 1
1 0.1455260 1.0000000
S 1
1 0.0497320 1.0000000
P 8
1 30.8220740 0.0001610
2 17.3592880 -0.0011280
3 9.7769170 0.0062950
4 5.5064540 -0.0359990
5 3.1012880 0.1493110
6 1.7466750 -0.2489380
7 0.9837440 -0.0648310
8 0.0443650 0.0829350
P 1
1 0.1981350 1.0000000
P 1
1 0.4038890 1.0000000
P 1
1 0.0951630 1.0000000
P 1
1 0.0320360 1.0000000
D 1
1 0.9647710 1.0000000
D 1
1 0.3941280 1.0000000
D 1
1 0.1610090 1.0000000
D 1
1 0.0628290 1.0000000
F 1
1 0.5924370 1.0000000
F 1
1 0.2287610 1.0000000
F 1
1 0.1042840 1.0000000
G 1
1 0.4281190 1.0000000
G 1
1 0.2102630 1.0000000
IODINE
S 11
1 208.3634160 0.0000170
2 117.8734120 0.0000430
3 66.6822490 -0.0002200
4 37.7228610 0.0008860
5 21.3402260 -0.0029400
6 12.0723940 0.0131530
7 6.8294820 -0.0737860
8 3.8635110 0.2725530
9 2.1856300 -0.2496550
10 1.2364340 -0.4287590
11 0.0775970 0.1220050
S 1
1 0.3405190 1.0000000
S 1
1 0.6858370 1.0000000
S 1
1 0.1656200 1.0000000
S 1
1 0.0581080 1.0000000
P 7
1 9.5386090 0.0019140
2 5.9554680 -0.0213810
3 3.7183190 0.0942320
4 2.3215470 -0.0995310
5 1.4494670 -0.1457100
6 0.9049800 -0.0001730
7 0.0496780 0.0744090
P 1
1 0.2183660 1.0000000
P 1
1 0.4373980 1.0000000
P 1
1 0.1059870 1.0000000
P 1
1 0.0376530 1.0000000
D 1
1 1.0796940 1.0000000
D 1
1 0.4488510 1.0000000
D 1
1 0.1865970 1.0000000
D 1
1 0.0747970 1.0000000
F 1
1 0.7012160 1.0000000
F 1
1 0.2728500 1.0000000
F 1
1 0.1507360 1.0000000
G 1
1 0.4798740 1.0000000
G 1
1 0.2442490 1.0000000

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@ -0,0 +1,466 @@
GALLIUM
S 12
1 183.6812990 0.0000460
2 101.6371440 -0.0002650
3 56.2393070 0.0009720
4 31.1191320 -0.0033350
5 17.2192800 0.0135370
6 9.5280160 -0.0602290
7 5.2721770 0.1745210
8 2.9172760 -0.1409590
9 1.6142290 -0.1325860
10 0.8932080 -0.1725520
11 0.4934650 0.0809420
12 0.0442640 0.1400920
S 1
1 0.2128450 1.0000000
S 1
1 0.0976160 1.0000000
S 1
1 0.0287480 1.0000000
P 8
1 16.3427320 0.0006170
2 9.0348110 -0.0063630
3 4.9947470 0.0317160
4 2.7612640 -0.0473460
5 1.5265190 -0.0485180
6 0.8439110 -0.0000290
7 0.3257830 0.1817710
8 0.0274030 0.1471610
P 1
1 0.1428090 1.0000000
P 1
1 0.0628660 1.0000000
P 1
1 0.0146100 1.0000000
D 1
1 0.3158480 1.0000000
D 1
1 0.1115430 1.0000000
D 1
1 0.0349270 1.0000000
F 1
1 0.2838330 1.0000000
F 1
1 0.0969550 1.0000000
GERMANIUM
S 12
1 592.2227540 -0.0000190
2 299.5004840 0.0001000
3 151.4641900 -0.0003130
4 76.5988780 0.0008530
5 38.7377900 -0.0024180
6 19.5905800 0.0087550
7 9.9074010 -0.0432530
8 5.0103970 0.1713900
9 2.5338720 -0.2158420
10 1.2814360 -0.2356390
11 0.5804130 -0.0220740
12 0.0612490 0.1710640
S 1
1 0.3085610 1.0000000
S 1
1 0.1385560 1.0000000
S 1
1 0.0427720 1.0000000
P 8
1 39.8392630 -0.0000910
2 19.8113590 0.0007200
3 9.8518380 -0.0055920
4 4.8991440 0.0369160
5 2.4362580 -0.0945060
6 1.2115080 -0.0406190
7 0.4381410 0.1875780
8 0.0394470 0.1315550
P 1
1 0.2001130 1.0000000
P 1
1 0.0899340 1.0000000
P 1
1 0.0258390 1.0000000
D 1
1 0.4040690 1.0000000
D 1
1 0.1474090 1.0000000
D 1
1 0.0509290 1.0000000
F 1
1 0.3534250 1.0000000
F 1
1 0.1330530 1.0000000
ARSENIC
S 12
1 496.0746690 0.0000290
2 251.7883940 -0.0000020
3 127.7980900 0.0000320
4 64.8653880 0.0002310
5 32.9231720 -0.0004030
6 16.7105340 0.0027270
7 8.4816230 -0.0190750
8 4.3049450 0.1361090
9 2.1850240 -0.2911950
10 1.1090340 -0.2076360
11 0.2578990 0.5387640
12 0.0624670 0.0794250
S 1
1 0.5075100 1.0000000
S 1
1 0.1284130 1.0000000
S 1
1 0.0538310 1.0000000
P 8
1 41.4842770 -0.0000540
2 20.4337600 0.0004690
3 10.0649830 -0.0040960
4 4.9576720 0.0352440
5 2.4419830 -0.1155690
6 1.2028380 -0.0371340
7 0.2455840 0.4434070
8 0.0505590 0.1110690
P 1
1 0.5249080 1.0000000
P 1
1 0.1131620 1.0000000
P 1
1 0.0370980 1.0000000
D 1
1 0.4015240 1.0000000
D 1
1 0.1716520 1.0000000
D 1
1 0.0626400 1.0000000
F 1
1 0.4315080 1.0000000
F 1
1 0.1582380 1.0000000
SELENIUM
S 12
1 522.2066270 0.0000120
2 268.1260450 0.0000290
3 137.6688310 -0.0000860
4 70.6858120 0.0004230
5 36.2935020 -0.0011160
6 18.6348330 0.0049530
7 9.5680210 -0.0318050
8 4.9126830 0.1821030
9 2.5224080 -0.3325320
10 1.2951260 -0.2403320
11 0.3134160 0.5510190
12 0.0751520 0.0818210
S 1
1 0.6044890 1.0000000
S 1
1 0.1564510 1.0000000
S 1
1 0.0664920 1.0000000
P 8
1 38.7220300 0.0001650
2 18.8022560 0.0001260
3 9.1298120 -0.0001570
4 4.4331630 0.0173710
5 2.1526110 -0.1135640
6 1.0452430 0.0166320
7 0.2546820 0.4379090
8 0.0539470 0.0868900
P 1
1 0.5326430 1.0000000
P 1
1 0.1191950 1.0000000
P 1
1 0.0415830 1.0000000
D 1
1 0.4754120 1.0000000
D 1
1 0.2077760 1.0000000
D 1
1 0.0776480 1.0000000
F 1
1 0.4817040 1.0000000
F 1
1 0.1915460 1.0000000
BROMINE
S 12
1 762.0066790 0.0000520
2 376.6365900 -0.0000230
3 186.1599440 0.0001490
4 92.0131660 0.0001420
5 45.4792930 0.0001820
6 22.4790230 0.0014490
7 11.1106930 -0.0118330
8 5.4916760 0.1119000
9 2.7143670 -0.2561560
10 1.3416290 -0.4007910
11 0.3988620 0.5908340
12 0.0901270 0.0897840
S 1
1 0.9528400 1.0000000
S 1
1 0.1919290 1.0000000
S 1
1 0.0808210 1.0000000
P 8
1 77.0646890 0.0000120
2 33.1900760 0.0001780
3 14.2942400 -0.0008620
4 6.1562170 0.0165350
5 2.6513480 -0.1173210
6 1.1418780 -0.0129850
7 0.3131070 0.4482900
8 0.0641740 0.0906150
P 1
1 0.1442090 1.0000000
P 1
1 0.6656170 1.0000000
P 1
1 0.0510520 1.0000000
D 1
1 0.6013860 1.0000000
D 1
1 0.2523660 1.0000000
D 1
1 0.0967350 1.0000000
F 1
1 0.5812580 1.0000000
F 1
1 0.2592890 1.0000000
INDIUM
S 12
1 260.4103720 0.0000290
2 140.3828170 -0.0000600
3 75.6779970 0.0001780
4 40.7967250 -0.0002890
5 21.9928230 0.0008310
6 11.8559580 -0.0019540
7 6.3913460 0.0082930
8 3.4454660 -0.0518320
9 1.8573920 0.2843780
10 1.0012890 -0.5640840
11 0.5397780 -0.0474790
12 0.0408800 0.1725080
S 1
1 0.2006590 1.0000000
S 1
1 0.0910510 1.0000000
S 1
1 0.0259950 1.0000000
P 8
1 48.6768460 0.0000410
2 22.0983850 -0.0002010
3 10.0322570 0.0008460
4 4.5544590 -0.0048970
5 2.0676400 0.0400620
6 0.9386700 -0.1697800
7 0.4261390 0.0661640
8 0.0281940 0.2193230
P 1
1 0.1658410 1.0000000
P 1
1 0.0683640 1.0000000
P 1
1 0.0149830 1.0000000
D 2
1 0.6271790 -0.1550755
2 0.2358160 0.7292935
D 1
1 0.0886660 1.0000000
D 1
1 0.0295360 1.0000000
F 1
1 0.2390940 1.0000000
F 1
1 0.0826760 1.0000000
TIN
S 12
1 38.4899420 0.0001220
2 24.2856410 -0.0006380
3 15.3232850 0.0025740
4 9.6683900 -0.0108040
5 6.1003740 0.0552060
6 3.8490960 -0.2612420
7 2.4286290 0.7008960
8 1.5323690 -0.6044690
9 0.9668650 -0.2359100
10 0.6100540 -0.1507990
11 0.3849200 0.2148350
12 0.0444900 0.0956740
S 1
1 0.1866400 1.0000000
S 1
1 0.0920920 1.0000000
S 1
1 0.0347710 1.0000000
P 8
1 60.2212000 0.0000420
2 27.5393180 -0.0002100
3 12.5938050 0.0009210
4 5.7591810 -0.0056980
5 2.6336890 0.0451000
6 1.2043930 -0.1728060
7 0.5507720 0.0285410
8 0.0396340 0.2073430
P 1
1 0.2244350 1.0000000
P 1
1 0.0951810 1.0000000
P 1
1 0.0252210 1.0000000
D 1
1 0.2699130 1.0000000
D 1
1 0.1140290 1.0000000
D 1
1 0.0418500 1.0000000
F 1
1 0.2846360 1.0000000
F 1
1 0.1074800 1.0000000
ANTIMONY
S 12
1 134.4073070 -0.0000050
2 78.1665010 0.0001560
3 45.4588520 -0.0006210
4 26.4372480 0.0020130
5 15.3749620 -0.0061710
6 8.9415300 0.0238200
7 5.2000750 -0.1121760
8 3.0241780 0.3682080
9 1.7587540 -0.3713390
10 1.0228290 -0.3157270
11 0.5948410 0.0000160
12 0.0598450 0.1430470
S 1
1 0.2706150 1.0000000
S 1
1 0.1285220 1.0000000
S 1
1 0.0428380 1.0000000
P 8
1 53.7217630 0.0000530
2 25.4683320 -0.0002790
3 12.0739880 0.0012910
4 5.7240180 -0.0084230
5 2.7136340 0.0629900
6 1.2864750 -0.2177580
7 0.6098900 0.0253020
8 0.0500490 0.1852460
P 1
1 0.2681730 1.0000000
P 1
1 0.1174810 1.0000000
P 1
1 0.0322940 1.0000000
D 1
1 0.2902980 1.0000000
D 1
1 0.1427360 1.0000000
D 1
1 0.0530050 1.0000000
F 1
1 0.3351440 1.0000000
F 1
1 0.1260310 1.0000000
TELLURIUM
S 13
1 356.2703560 0.0000780
2 200.2259260 -0.0001580
3 112.5280860 0.0004070
4 63.2414120 -0.0005760
5 35.5420260 0.0013890
6 19.9748170 -0.0026460
7 11.2259580 0.0089500
8 6.3090510 -0.0437500
9 3.5457220 0.1842070
10 1.9927150 -0.1940200
11 1.1199170 -0.3627430
12 0.3022750 0.5650470
13 0.0680180 0.1275080
S 1
1 0.6333530 1.0000000
S 1
1 0.1455260 1.0000000
S 1
1 0.0545640 1.0000000
P 9
1 30.8220740 0.0001610
2 17.3592880 -0.0011280
3 9.7769170 0.0062950
4 5.5064540 -0.0359990
5 3.1012880 0.1493110
6 1.7466750 -0.2489380
7 0.9837440 -0.0648310
8 0.1981350 0.4699770
9 0.0443650 0.0829350
P 1
1 0.4038890 1.0000000
P 1
1 0.0951630 1.0000000
P 1
1 0.0362710 1.0000000
D 2
1 0.9647710 -0.1793582
2 0.3941280 0.5744324
D 1
1 0.1610090 1.0000000
D 1
1 0.0662560 1.0000000
F 1
1 0.3609320 1.0000000
F 1
1 0.1481570 1.0000000
IODINE
S 12
1 208.3634160 0.0000170
2 117.8734120 0.0000430
3 66.6822490 -0.0002200
4 37.7228610 0.0008860
5 21.3402260 -0.0029400
6 12.0723940 0.0131530
7 6.8294820 -0.0737860
8 3.8635110 0.2725530
9 2.1856300 -0.2496550
10 1.2364340 -0.4287590
11 0.3405190 0.5919630
12 0.0775970 0.1220050
S 1
1 0.6858370 1.0000000
S 1
1 0.1656200 1.0000000
S 1
1 0.0657390 1.0000000
P 8
1 9.5386090 0.0019140
2 5.9554680 -0.0213810
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@ -0,0 +1,673 @@
BORON
S 8
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CARBON
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P 1
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NITROGEN
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S 1
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P 1
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P 1
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OXYGEN
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FLUORINE
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P 1
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P 1
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NEON
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S 1
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S 1
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P 1
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P 1
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ALUMINUM
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P 7
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P 1
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P 1
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D 1
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D 1
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SILICON
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3 2692.0000000 0.108506E-01
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S 11
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S 11
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S 1
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S 1
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P 7
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P 1
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P 1
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P 1
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D 1
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D 1
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PHOSPHORUS
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11 0.3372000 0.748050E-03
S 11
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2 14220.0000000 -0.535266E-03
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S 11
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S 1
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S 1
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S 1
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P 7
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P 7
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P 1
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P 1
1 1.9390000 1.0000000
P 1
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D 1
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D 1
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D 1
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SULFUR
S 11
1 110800.0000000 0.247635E-03
2 16610.0000000 0.192026E-02
3 3781.0000000 0.996192E-02
4 1071.0000000 0.402975E-01
5 349.8000000 0.128604E+00
6 126.3000000 0.303480E+00
7 49.2600000 0.421432E+00
8 20.1600000 0.230781E+00
9 5.7200000 0.178971E-01
10 2.1820000 -0.297516E-02
11 0.4327000 0.849522E-03
S 11
1 110800.0000000 -0.687039E-04
2 16610.0000000 -0.527681E-03
3 3781.0000000 -0.279671E-02
4 1071.0000000 -0.112651E-01
5 349.8000000 -0.388834E-01
6 126.3000000 -0.995025E-01
7 49.2600000 -0.199740E+00
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9 5.7200000 0.513194E+00
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11 0.4327000 0.396753E-01
S 11
1 110800.0000000 0.199077E-04
2 16610.0000000 0.153483E-03
3 3781.0000000 0.809503E-03
4 1071.0000000 0.328974E-02
5 349.8000000 0.112967E-01
6 126.3000000 0.296385E-01
7 49.2600000 0.599851E-01
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9 5.7200000 -0.207474E+00
10 2.1820000 -0.392889E+00
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S 1
1 0.1570000 1.0000000
S 1
1 6.5010000 1.0000000
S 1
1 0.0507000 1.0000000
P 7
1 399.7000000 0.447541E-02
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4 10.7700000 0.353928E+00
5 4.1190000 0.459085E+00
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P 7
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2 94.1900000 -0.865664E-02
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4 10.7700000 -0.934625E-01
5 4.1190000 -0.147994E+00
6 1.6250000 0.301904E-01
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P 1
1 0.1407000 1.0000000
P 1
1 2.5030000 1.0000000
P 1
1 0.0399000 1.0000000
D 1
1 0.4790000 1.0000000
D 1
1 3.2110000 1.0000000
D 1
1 0.1520000 1.0000000
CHLORINE
S 11
1 127900.0000000 0.241153E-03
2 19170.0000000 0.187095E-02
3 4363.0000000 0.970827E-02
4 1236.0000000 0.393153E-01
5 403.6000000 0.125932E+00
6 145.7000000 0.299341E+00
7 56.8100000 0.421886E+00
8 23.2300000 0.237201E+00
9 6.6440000 0.191531E-01
10 2.5750000 -0.334792E-02
11 0.5371000 0.929883E-03
S 11
1 127900.0000000 -0.678922E-04
2 19170.0000000 -0.521836E-03
3 4363.0000000 -0.276513E-02
4 1236.0000000 -0.111537E-01
5 403.6000000 -0.385919E-01
6 145.7000000 -0.994848E-01
7 56.8100000 -0.201392E+00
8 23.2300000 -0.130313E+00
9 6.6440000 0.509443E+00
10 2.5750000 0.610725E+00
11 0.5371000 0.421549E-01
S 11
1 127900.0000000 0.204986E-04
2 19170.0000000 0.158298E-03
3 4363.0000000 0.833639E-03
4 1236.0000000 0.339880E-02
5 403.6000000 0.116738E-01
6 145.7000000 0.309622E-01
7 56.8100000 0.629533E-01
8 23.2300000 0.460257E-01
9 6.6440000 -0.219312E+00
10 2.5750000 -0.408773E+00
11 0.5371000 0.638465E+00
S 1
1 0.1938000 1.0000000
S 1
1 7.5910000 1.0000000
S 1
1 0.0608000 1.0000000
P 7
1 417.6000000 0.525982E-02
2 98.3300000 0.398332E-01
3 31.0400000 0.164655E+00
4 11.1900000 0.387322E+00
5 4.2490000 0.457072E+00
6 1.6240000 0.151636E+00
7 0.5322000 0.181615E-02
P 7
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3 31.0400000 -0.470075E-01
4 11.1900000 -0.111030E+00
5 4.2490000 -0.153275E+00
6 1.6240000 0.894609E-01
7 0.5322000 0.579444E+00
P 1
1 0.1620000 1.0000000
P 1
1 3.0920000 1.0000000
P 1
1 0.0466000 1.0000000
D 1
1 0.6000000 1.0000000
D 1
1 3.7010000 1.0000000
D 1
1 0.1960000 1.0000000
ARGON
S 11
1 145700.0000000 0.236700E-03
2 21840.0000000 0.183523E-02
3 4972.0000000 0.952860E-02
4 1408.0000000 0.386283E-01
5 459.7000000 0.124081E+00
6 165.9000000 0.296471E+00
7 64.6900000 0.422068E+00
8 26.4400000 0.241711E+00
9 7.6280000 0.200509E-01
10 2.9960000 -0.361000E-02
11 0.6504000 0.975607E-03
S 11
1 145700.0000000 -0.674910E-04
2 21840.0000000 -0.518522E-03
3 4972.0000000 -0.274825E-02
4 1408.0000000 -0.111007E-01
5 459.7000000 -0.384820E-01
6 165.9000000 -0.997599E-01
7 64.6900000 -0.203088E+00
8 26.4400000 -0.135608E+00
9 7.6280000 0.507195E+00
10 2.9960000 0.612898E+00
11 0.6504000 0.442968E-01
S 11
1 145700.0000000 0.210457E-04
2 21840.0000000 0.162565E-03
3 4972.0000000 0.855463E-03
4 1408.0000000 0.349745E-02
5 459.7000000 0.120156E-01
6 165.9000000 0.321368E-01
7 64.6900000 0.655279E-01
8 26.4400000 0.499370E-01
9 7.6280000 -0.229769E+00
10 2.9960000 -0.421006E+00
11 0.6504000 0.642331E+00
S 1
1 0.2337000 1.0000000
S 1
1 8.7420000 1.0000000
S 1
1 0.0709000 1.0000000
P 7
1 453.7000000 0.570555E-02
2 106.8000000 0.430460E-01
3 33.7300000 0.176591E+00
4 12.1300000 0.406863E+00
5 4.5940000 0.452549E+00
6 1.6780000 0.122801E+00
7 0.5909000 -0.445996E-02
P 7
1 453.7000000 -0.160655E-02
2 106.8000000 -0.121714E-01
3 33.7300000 -0.520789E-01
4 12.1300000 -0.123737E+00
5 4.5940000 -0.151619E+00
6 1.6780000 0.142425E+00
7 0.5909000 0.584501E+00
P 1
1 0.1852000 1.0000000
P 1
1 3.7110000 1.0000000
P 1
1 0.0533000 1.0000000
D 1
1 0.7380000 1.0000000
D 1
1 4.2510000 1.0000000
D 1
1 0.2400000 1.0000000

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913
basis/aug-cc-pwcvtz Normal file
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@ -0,0 +1,913 @@
BORON
S 8
1 5473.0000000 0.0005550
2 820.9000000 0.0042910
3 186.8000000 0.0219490
4 52.8300000 0.0844410
5 17.0800000 0.2385570
6 5.9990000 0.4350720
7 2.2080000 0.3419550
8 0.2415000 -0.0095450
S 8
1 5473.0000000 -0.0001120
2 820.9000000 -0.0008680
3 186.8000000 -0.0044840
4 52.8300000 -0.0176830
5 17.0800000 -0.0536390
6 5.9990000 -0.1190050
7 2.2080000 -0.1658240
8 0.2415000 0.5959810
S 1
1 0.5879000 1.0000000
S 1
1 0.0861000 1.0000000
S 1
1 2.4540000 1.0000000
S 1
1 6.4300000 1.0000000
S 1
1 0.0291400 1.0000000
P 3
1 12.0500000 0.0131180
2 2.6130000 0.0798960
3 0.7475000 0.2772750
P 1
1 0.2385000 1.0000000
P 1
1 0.0769800 1.0000000
P 1
1 3.4980000 1.0000000
P 1
1 14.3720000 1.0000000
P 1
1 0.0209600 1.0000000
D 1
1 0.6610000 1.0000000
D 1
1 0.1990000 1.0000000
D 1
1 3.0290000 1.0000000
D 1
1 0.0604000 1.0000000
F 1
1 0.4900000 1.0000000
F 1
1 0.1630000 1.0000000
CARBON
S 8
1 8236.0000000 0.0005310
2 1235.0000000 0.0041080
3 280.8000000 0.0210870
4 79.2700000 0.0818530
5 25.5900000 0.2348170
6 8.9970000 0.4344010
7 3.3190000 0.3461290
8 0.3643000 -0.0089830
S 8
1 8236.0000000 -0.0001130
2 1235.0000000 -0.0008780
3 280.8000000 -0.0045400
4 79.2700000 -0.0181330
5 25.5900000 -0.0557600
6 8.9970000 -0.1268950
7 3.3190000 -0.1703520
8 0.3643000 0.5986840
S 1
1 0.9059000 1.0000000
S 1
1 0.1285000 1.0000000
S 1
1 3.4740000 1.0000000
S 1
1 8.8280000 1.0000000
S 1
1 0.0440200 1.0000000
P 3
1 18.7100000 0.0140310
2 4.1330000 0.0868660
3 1.2000000 0.2902160
P 1
1 0.3827000 1.0000000
P 1
1 0.1209000 1.0000000
P 1
1 5.4420000 1.0000000
P 1
1 21.5520000 1.0000000
P 1
1 0.0356900 1.0000000
D 1
1 1.0970000 1.0000000
D 1
1 0.3180000 1.0000000
D 1
1 4.9500000 1.0000000
D 1
1 0.1000000 1.0000000
F 1
1 0.7610000 1.0000000
F 1
1 0.2680000 1.0000000
NITROGEN
S 8
1 11420.0000000 0.0005230
2 1712.0000000 0.0040450
3 389.3000000 0.0207750
4 110.0000000 0.0807270
5 35.5700000 0.2330740
6 12.5400000 0.4335010
7 4.6440000 0.3474720
8 0.5118000 -0.0085080
S 8
1 11420.0000000 -0.0001150
2 1712.0000000 -0.0008950
3 389.3000000 -0.0046240
4 110.0000000 -0.0185280
5 35.5700000 -0.0573390
6 12.5400000 -0.1320760
7 4.6440000 -0.1725100
8 0.5118000 0.5999440
S 1
1 1.2930000 1.0000000
S 1
1 0.1787000 1.0000000
S 1
1 4.7330000 1.0000000
S 1
1 11.8070000 1.0000000
S 1
1 0.0576000 1.0000000
P 3
1 26.6300000 0.0146700
2 5.9480000 0.0917640
3 1.7420000 0.2986830
P 1
1 0.5550000 1.0000000
P 1
1 0.1725000 1.0000000
P 1
1 7.7430000 1.0000000
P 1
1 29.8180000 1.0000000
P 1
1 0.0491000 1.0000000
D 1
1 1.6540000 1.0000000
D 1
1 0.4690000 1.0000000
D 1
1 7.3520000 1.0000000
D 1
1 0.1510000 1.0000000
F 1
1 1.0930000 1.0000000
F 1
1 0.3640000 1.0000000
OXYGEN
S 8
1 15330.0000000 0.0005080
2 2299.0000000 0.0039290
3 522.4000000 0.0202430
4 147.3000000 0.0791810
5 47.5500000 0.2306870
6 16.7600000 0.4331180
7 6.2070000 0.3502600
8 0.6882000 -0.0081540
S 8
1 15330.0000000 -0.0001150
2 2299.0000000 -0.0008950
3 522.4000000 -0.0046360
4 147.3000000 -0.0187240
5 47.5500000 -0.0584630
6 16.7600000 -0.1364630
7 6.2070000 -0.1757400
8 0.6882000 0.6034180
S 1
1 1.7520000 1.0000000
S 1
1 0.2384000 1.0000000
S 1
1 6.2450000 1.0000000
S 1
1 15.3810000 1.0000000
S 1
1 0.0737600 1.0000000
P 3
1 34.4600000 0.0159280
2 7.7490000 0.0997400
3 2.2800000 0.3104920
P 1
1 0.7156000 1.0000000
P 1
1 0.2140000 1.0000000
P 1
1 10.2160000 1.0000000
P 1
1 38.4840000 1.0000000
P 1
1 0.0597400 1.0000000
D 1
1 2.3140000 1.0000000
D 1
1 0.6450000 1.0000000
D 1
1 10.2380000 1.0000000
D 1
1 0.2140000 1.0000000
F 1
1 1.4280000 1.0000000
F 1
1 0.5000000 1.0000000
FLUORINE
S 8
1 19500.0000000 0.0005070
2 2923.0000000 0.0039230
3 664.5000000 0.0202000
4 187.5000000 0.0790100
5 60.6200000 0.2304390
6 21.4200000 0.4328720
7 7.9500000 0.3499640
8 0.8815000 -0.0078920
S 8
1 19500.0000000 -0.0001170
2 2923.0000000 -0.0009120
3 664.5000000 -0.0047170
4 187.5000000 -0.0190860
5 60.6200000 -0.0596550
6 21.4200000 -0.1400100
7 7.9500000 -0.1767820
8 0.8815000 0.6050430
S 1
1 2.2570000 1.0000000
S 1
1 0.3041000 1.0000000
S 1
1 7.9400000 1.0000000
S 1
1 19.3640000 1.0000000
S 1
1 0.0915800 1.0000000
P 3
1 43.8800000 0.0166650
2 9.9260000 0.1044720
3 2.9300000 0.3172600
P 1
1 0.9132000 1.0000000
P 1
1 0.2672000 1.0000000
P 1
1 13.0690000 1.0000000
P 1
1 48.3250000 1.0000000
P 1
1 0.0736100 1.0000000
D 1
1 3.1070000 1.0000000
D 1
1 0.8550000 1.0000000
D 1
1 13.6440000 1.0000000
D 1
1 0.2920000 1.0000000
F 1
1 1.9170000 1.0000000
F 1
1 0.7240000 1.0000000
NEON
S 8
1 24350.0000000 0.0005020
2 3650.0000000 0.0038810
3 829.6000000 0.0199970
4 234.0000000 0.0784180
5 75.6100000 0.2296760
6 26.7300000 0.4327220
7 9.9270000 0.3506420
8 1.1020000 -0.0076450
S 8
1 24350.0000000 -0.0001180
2 3650.0000000 -0.0009150
3 829.6000000 -0.0047370
4 234.0000000 -0.0192330
5 75.6100000 -0.0603690
6 26.7300000 -0.1425080
7 9.9270000 -0.1777100
8 1.1020000 0.6058360
S 1
1 2.8360000 1.0000000
S 1
1 0.3782000 1.0000000
S 1
1 9.8830000 1.0000000
S 1
1 23.8290000 1.0000000
S 1
1 0.1133000 1.0000000
P 3
1 54.7000000 0.0171510
2 12.4300000 0.1076560
3 3.6790000 0.3216810
P 1
1 1.1430000 1.0000000
P 1
1 0.3300000 1.0000000
P 1
1 16.2750000 1.0000000
P 1
1 59.2420000 1.0000000
P 1
1 0.0917500 1.0000000
D 1
1 4.0140000 1.0000000
D 1
1 1.0960000 1.0000000
D 1
1 17.5280000 1.0000000
D 1
1 0.3860000 1.0000000
F 1
1 2.5440000 1.0000000
F 1
1 1.0840000 1.0000000
ALUMINUM
S 13
1 205500.0000000 0.678836E-04
2 30780.0000000 0.527149E-03
3 7006.0000000 0.276203E-02
4 1985.0000000 0.114728E-01
5 649.1000000 0.398188E-01
6 235.0000000 0.115040E+00
7 91.6200000 0.260887E+00
8 37.6700000 0.396386E+00
9 15.9100000 0.284597E+00
10 5.8500000 0.444583E-01
11 2.5420000 -0.489838E-02
12 1.0570000 0.261253E-02
13 0.1455000 0.722068E-03
S 13
1 205500.0000000 -0.176377E-04
2 30780.0000000 -0.137195E-03
3 7006.0000000 -0.718910E-03
4 1985.0000000 -0.301146E-02
5 649.1000000 -0.106014E-01
6 235.0000000 -0.321345E-01
7 91.6200000 -0.803156E-01
8 37.6700000 -0.156794E+00
9 15.9100000 -0.168376E+00
10 5.8500000 0.126879E+00
11 2.5420000 0.561494E+00
12 1.0570000 0.436613E+00
13 0.1455000 -0.114563E-01
S 13
1 205500.0000000 0.407315E-05
2 30780.0000000 0.316566E-04
3 7006.0000000 0.166116E-03
4 1985.0000000 0.694992E-03
5 649.1000000 0.245511E-02
6 235.0000000 0.744598E-02
7 91.6200000 0.188253E-01
8 37.6700000 0.372772E-01
9 15.9100000 0.419496E-01
10 5.8500000 -0.354375E-01
11 2.5420000 -0.175132E+00
12 1.0570000 -0.276203E+00
13 0.1455000 0.652809E+00
S 1
1 0.2931000 1.0000000
S 1
1 0.0565000 1.0000000
S 1
1 0.9950000 1.0000000
S 1
1 6.5620000 1.0000000
S 1
1 0.0221000 1.0000000
P 7
1 444.4000000 0.162786E-02
2 105.1000000 0.130687E-01
3 33.4700000 0.612341E-01
4 12.3300000 0.187870E+00
5 4.8690000 0.360452E+00
6 1.9610000 0.408454E+00
7 0.1888000 0.976514E-02
P 7
1 444.4000000 -0.286341E-03
2 105.1000000 -0.242308E-02
3 33.4700000 -0.108658E-01
4 12.3300000 -0.364307E-01
5 4.8690000 -0.641074E-01
6 1.9610000 -0.972239E-01
7 0.1888000 0.503448E+00
P 1
1 0.7834000 1.0000000
P 1
1 0.0555700 1.0000000
P 1
1 1.8110000 1.0000000
P 1
1 4.8710000 1.0000000
P 1
1 0.0146000 1.0000000
D 1
1 0.1090000 1.0000000
D 1
1 0.3330000 1.0000000
D 1
1 1.3580000 1.0000000
D 1
1 5.4870000 1.0000000
D 1
1 0.0356000 1.0000000
F 1
1 0.2440000 1.0000000
F 1
1 1.4700000 1.0000000
F 1
1 0.0858000 1.0000000
SILICON
S 13
1 254900.0000000 0.625101E-04
2 38190.0000000 0.485553E-03
3 8690.0000000 0.254516E-02
4 2462.0000000 0.105866E-01
5 804.8000000 0.368787E-01
6 291.3000000 0.107479E+00
7 113.6000000 0.247936E+00
8 46.7500000 0.390927E+00
9 19.8200000 0.302026E+00
10 7.7080000 0.559236E-01
11 3.3400000 -0.402406E-02
12 1.4020000 0.258030E-02
13 0.2070000 0.607930E-03
S 13
1 254900.0000000 -0.166370E-04
2 38190.0000000 -0.129310E-03
3 8690.0000000 -0.678828E-03
4 2462.0000000 -0.284117E-02
5 804.8000000 -0.100551E-01
6 291.3000000 -0.305774E-01
7 113.6000000 -0.777256E-01
8 46.7500000 -0.154236E+00
9 19.8200000 -0.180368E+00
10 7.7080000 0.798218E-01
11 3.3400000 0.547441E+00
12 1.4020000 0.480119E+00
13 0.2070000 -0.106996E-01
S 13
1 254900.0000000 0.426257E-05
2 38190.0000000 0.331062E-04
3 8690.0000000 0.174015E-03
4 2462.0000000 0.727574E-03
5 804.8000000 0.258333E-02
6 291.3000000 0.786354E-02
7 113.6000000 0.202155E-01
8 46.7500000 0.407320E-01
9 19.8200000 0.499358E-01
10 7.7080000 -0.249396E-01
11 3.3400000 -0.190350E+00
12 1.4020000 -0.318350E+00
13 0.2070000 0.681180E+00
S 1
1 0.4387000 1.0000000
S 1
1 0.0794400 1.0000000
S 1
1 1.3360000 1.0000000
S 1
1 8.2520000 1.0000000
S 1
1 0.0330000 1.0000000
P 7
1 481.5000000 0.192045E-02
2 113.9000000 0.153552E-01
3 36.2300000 0.713991E-01
4 13.3400000 0.213052E+00
5 5.2520000 0.390354E+00
6 2.1200000 0.393721E+00
7 0.2528000 0.395630E-02
P 7
1 481.5000000 -0.405220E-03
2 113.9000000 -0.335896E-02
3 36.2300000 -0.152860E-01
4 13.3400000 -0.489218E-01
5 5.2520000 -0.855008E-01
6 2.1200000 -0.112137E+00
7 0.2528000 0.551919E+00
P 1
1 0.8561000 1.0000000
P 1
1 0.0788900 1.0000000
P 1
1 2.3110000 1.0000000
P 1
1 5.9360000 1.0000000
P 1
1 0.0237000 1.0000000
D 1
1 0.1590000 1.0000000
D 1
1 0.4810000 1.0000000
D 1
1 1.8140000 1.0000000
D 1
1 7.2030000 1.0000000
D 1
1 0.0556000 1.0000000
F 1
1 0.3360000 1.0000000
F 1
1 1.7630000 1.0000000
F 1
1 0.1250000 1.0000000
PHOSPHORUS
S 13
1 312400.0000000 0.576960E-04
2 46800.0000000 0.448296E-03
3 10650.0000000 0.234939E-02
4 3018.0000000 0.978265E-02
5 986.8000000 0.341467E-01
6 357.4000000 0.100204E+00
7 139.6000000 0.234372E+00
8 57.6300000 0.382434E+00
9 24.6000000 0.318088E+00
10 10.1200000 0.707788E-01
11 4.2830000 -0.181799E-02
12 1.8050000 0.216180E-02
13 0.2782000 0.432297E-03
S 13
1 312400.0000000 -0.156709E-04
2 46800.0000000 -0.121724E-03
3 10650.0000000 -0.639672E-03
4 3018.0000000 -0.267426E-02
5 986.8000000 -0.949831E-02
6 357.4000000 -0.289349E-01
7 139.6000000 -0.745121E-01
8 57.6300000 -0.149938E+00
9 24.6000000 -0.189467E+00
10 10.1200000 0.363270E-01
11 4.2830000 0.528816E+00
12 1.8050000 0.519115E+00
13 0.2782000 -0.925695E-02
S 13
1 312400.0000000 0.430631E-05
2 46800.0000000 0.334194E-04
3 10650.0000000 0.175885E-03
4 3018.0000000 0.734340E-03
5 986.8000000 0.261775E-02
6 357.4000000 0.797852E-02
7 139.6000000 0.207940E-01
8 57.6300000 0.424446E-01
9 24.6000000 0.563436E-01
10 10.1200000 -0.127358E-01
11 4.2830000 -0.196495E+00
12 1.8050000 -0.353555E+00
13 0.2782000 0.700912E+00
S 1
1 0.6158000 1.0000000
S 1
1 0.1055000 1.0000000
S 1
1 1.7300000 1.0000000
S 1
1 10.0690000 1.0000000
S 1
1 0.0409000 1.0000000
P 7
1 504.9000000 0.233728E-02
2 119.4000000 0.185410E-01
3 37.9600000 0.849693E-01
4 13.9500000 0.244615E+00
5 5.4570000 0.422766E+00
6 2.1770000 0.368439E+00
7 0.2877000 -0.379005E-02
P 7
1 504.9000000 -0.555236E-03
2 119.4000000 -0.445913E-02
3 37.9600000 -0.206350E-01
4 13.9500000 -0.617694E-01
5 5.4570000 -0.108924E+00
6 2.1770000 -0.105599E+00
7 0.2877000 0.576981E+00
P 1
1 0.8010000 1.0000000
P 1
1 0.0971400 1.0000000
P 1
1 2.4010000 1.0000000
P 1
1 6.0900000 1.0000000
P 1
1 0.0307000 1.0000000
D 1
1 0.2160000 1.0000000
D 1
1 0.6520000 1.0000000
D 1
1 2.3280000 1.0000000
D 1
1 9.0970000 1.0000000
D 1
1 0.0775000 1.0000000
F 1
1 0.4520000 1.0000000
F 1
1 2.1220000 1.0000000
F 1
1 0.1650000 1.0000000
SULFUR
S 13
1 374100.0000000 0.542140E-04
2 56050.0000000 0.420855E-03
3 12760.0000000 0.220698E-02
4 3615.0000000 0.919258E-02
5 1183.0000000 0.321123E-01
6 428.8000000 0.946683E-01
7 167.8000000 0.223630E+00
8 69.4700000 0.374393E+00
9 29.8400000 0.329108E+00
10 12.7200000 0.847038E-01
11 5.2440000 0.440851E-03
12 2.2190000 0.164827E-02
13 0.3490000 0.301306E-03
S 13
1 374100.0000000 -0.149837E-04
2 56050.0000000 -0.116198E-03
3 12760.0000000 -0.611583E-03
4 3615.0000000 -0.255370E-02
5 1183.0000000 -0.908708E-02
6 428.8000000 -0.277045E-01
7 167.8000000 -0.720020E-01
8 69.4700000 -0.146439E+00
9 29.8400000 -0.195150E+00
10 12.7200000 0.819193E-02
11 5.2440000 0.516601E+00
12 2.2190000 0.542178E+00
13 0.3490000 -0.918072E-02
S 13
1 374100.0000000 0.435066E-05
2 56050.0000000 0.337140E-04
3 12760.0000000 0.177674E-03
4 3615.0000000 0.741116E-03
5 1183.0000000 0.264591E-02
6 428.8000000 0.807487E-02
7 167.8000000 0.212276E-01
8 69.4700000 0.438323E-01
9 29.8400000 0.612716E-01
10 12.7200000 -0.361510E-02
11 5.2440000 -0.204510E+00
12 2.2190000 -0.381871E+00
13 0.3490000 0.714147E+00
S 1
1 0.7767000 1.0000000
S 1
1 0.1322000 1.0000000
S 1
1 2.1200000 1.0000000
S 1
1 11.9200000 1.0000000
S 1
1 0.0497000 1.0000000
P 7
1 574.4000000 0.242264E-02
2 135.8000000 0.192796E-01
3 43.1900000 0.885401E-01
4 15.8700000 0.254654E+00
5 6.2080000 0.433984E+00
6 2.4830000 0.354953E+00
7 0.3229000 -0.502977E-02
P 7
1 574.4000000 -0.620102E-03
2 135.8000000 -0.493882E-02
3 43.1900000 -0.232647E-01
4 15.8700000 -0.685195E-01
5 6.2080000 -0.123896E+00
6 2.4830000 -0.969499E-01
7 0.3229000 0.569394E+00
P 1
1 0.8688000 1.0000000
P 1
1 0.1098000 1.0000000
P 1
1 2.6590000 1.0000000
P 1
1 6.6470000 1.0000000
P 1
1 0.0351000 1.0000000
D 1
1 0.2690000 1.0000000
D 1
1 0.8190000 1.0000000
D 1
1 2.8640000 1.0000000
D 1
1 11.0790000 1.0000000
D 1
1 0.1010000 1.0000000
F 1
1 0.5570000 1.0000000
F 1
1 2.5280000 1.0000000
F 1
1 0.2180000 1.0000000
CHLORINE
S 13
1 456100.0000000 0.492970E-04
2 68330.0000000 0.383029E-03
3 15550.0000000 0.200854E-02
4 4405.0000000 0.838558E-02
5 1439.0000000 0.294703E-01
6 520.4000000 0.878325E-01
7 203.1000000 0.211473E+00
8 83.9600000 0.365364E+00
9 36.2000000 0.340884E+00
10 15.8300000 0.102133E+00
11 6.3340000 0.311675E-02
12 2.6940000 0.105751E-02
13 0.4313000 0.156136E-03
S 13
1 456100.0000000 -0.138304E-04
2 68330.0000000 -0.107279E-03
3 15550.0000000 -0.565083E-03
4 4405.0000000 -0.236135E-02
5 1439.0000000 -0.845886E-02
6 520.4000000 -0.259638E-01
7 203.1000000 -0.686362E-01
8 83.9600000 -0.141874E+00
9 36.2000000 -0.199319E+00
10 15.8300000 -0.195662E-01
11 6.3340000 0.499741E+00
12 2.6940000 0.563736E+00
13 0.4313000 -0.835091E-02
S 13
1 456100.0000000 0.418546E-05
2 68330.0000000 0.324395E-04
3 15550.0000000 0.171105E-03
4 4405.0000000 0.714176E-03
5 1439.0000000 0.256705E-02
6 520.4000000 0.788552E-02
7 203.1000000 0.210867E-01
8 83.9600000 0.442264E-01
9 36.2000000 0.651670E-01
10 15.8300000 0.603012E-02
11 6.3340000 -0.206495E+00
12 2.6940000 -0.405871E+00
13 0.4313000 0.725661E+00
S 1
1 0.9768000 1.0000000
S 1
1 0.1625000 1.0000000
S 1
1 2.5620000 1.0000000
S 1
1 13.9400000 1.0000000
S 1
1 0.0591000 1.0000000
P 7
1 663.3000000 0.240448E-02
2 156.8000000 0.192148E-01
3 49.9800000 0.885097E-01
4 18.4200000 0.256020E+00
5 7.2400000 0.436927E+00
6 2.9220000 0.350334E+00
7 0.3818000 -0.458423E-02
P 7
1 663.3000000 -0.652145E-03
2 156.8000000 -0.519445E-02
3 49.9800000 -0.246938E-01
4 18.4200000 -0.728167E-01
5 7.2400000 -0.134030E+00
6 2.9220000 -0.947742E-01
7 0.3818000 0.564667E+00
P 1
1 1.0220000 1.0000000
P 1
1 0.1301000 1.0000000
P 1
1 3.1170000 1.0000000
P 1
1 7.6930000 1.0000000
P 1
1 0.0419000 1.0000000
D 1
1 1.0460000 1.0000000
D 1
1 0.3440000 1.0000000
D 1
1 3.5370000 1.0000000
D 1
1 13.5060000 1.0000000
D 1
1 0.1350000 1.0000000
F 1
1 0.7060000 1.0000000
F 1
1 3.0140000 1.0000000
F 1
1 0.3120000 1.0000000
ARGON
S 13
1 545000.0000000 0.455828E-04
2 81640.0000000 0.354108E-03
3 18580.0000000 0.185797E-02
4 5261.0000000 0.776851E-02
5 1717.0000000 0.274232E-01
6 619.9000000 0.823836E-01
7 241.6000000 0.201230E+00
8 99.7900000 0.356781E+00
9 43.1500000 0.349563E+00
10 19.1400000 0.118266E+00
11 7.4880000 0.560190E-02
12 3.2050000 0.483473E-03
13 0.5204000 0.292025E-04
S 13
1 545000.0000000 -0.129551E-04
2 81640.0000000 -0.100428E-03
3 18580.0000000 -0.529583E-03
4 5261.0000000 -0.221396E-02
5 1717.0000000 -0.796845E-02
6 619.9000000 -0.245803E-01
7 241.6000000 -0.657798E-01
8 99.7900000 -0.137942E+00
9 43.1500000 -0.201630E+00
10 19.1400000 -0.412834E-01
11 7.4880000 0.484680E+00
12 3.2050000 0.579224E+00
13 0.5204000 -0.727553E-02
S 13
1 545000.0000000 0.404990E-05
2 81640.0000000 0.313691E-04
3 18580.0000000 0.165646E-03
4 5261.0000000 0.691662E-03
5 1717.0000000 0.249790E-02
6 619.9000000 0.771074E-02
7 241.6000000 0.208714E-01
8 99.7900000 0.443965E-01
9 43.1500000 0.680224E-01
10 19.1400000 0.141350E-01
11 7.4880000 -0.207489E+00
12 3.2050000 -0.425045E+00
13 0.5204000 0.733627E+00
S 1
1 1.1960000 1.0000000
S 1
1 0.1954000 1.0000000
S 1
1 3.0470000 1.0000000
S 1
1 16.1210000 1.0000000
S 1
1 0.0685000 1.0000000
P 7
1 761.8000000 0.236976E-02
2 180.2000000 0.190199E-01
3 57.5000000 0.880807E-01
4 21.2400000 0.256377E+00
5 8.3880000 0.438711E+00
6 3.4160000 0.347569E+00
7 0.4523000 -0.523882E-02
P 7
1 761.8000000 -0.667211E-03
2 180.2000000 -0.532717E-02
3 57.5000000 -0.255494E-01
4 21.2400000 -0.757197E-01
5 8.3880000 -0.141133E+00
6 3.4160000 -0.932768E-01
7 0.4523000 0.562450E+00
P 1
1 1.2060000 1.0000000
P 1
1 0.1545000 1.0000000
P 1
1 3.6590000 1.0000000
P 1
1 8.9270000 1.0000000
P 1
1 0.0487000 1.0000000
D 1
1 0.4100000 1.0000000
D 1
1 1.2540000 1.0000000
D 1
1 4.1810000 1.0000000
D 1
1 15.8600000 1.0000000
D 1
1 0.1690000 1.0000000
F 1
1 0.8900000 1.0000000
F 1
1 3.5720000 1.0000000
F 1
1 0.4060000 1.0000000

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@ -0,0 +1,521 @@
POTASSIUM
S 7
1 0.11700E+05 0.66806E-02
2 0.17627E+04 0.49297E-01
3 0.40300E+03 0.21643E+00
4 0.11520E+03 0.50000E+00
5 0.37693E+02 0.43209E+00
6 0.51906E+01 0.21821E-01
7 0.51212E+00 -0.34634E-02
S 7
1 0.11700E+05 -0.84480E-03
2 0.17627E+04 -0.68033E-02
3 0.40300E+03 -0.28680E-01
4 0.11520E+03 -0.99591E-01
5 0.37693E+02 -0.80208E-01
6 0.51906E+01 0.50000E+00
7 0.51212E+00 0.44969E-01
S 7
1 0.11700E+05 0.27396E-03
2 0.17627E+04 0.22356E-02
3 0.40300E+03 0.93160E-02
4 0.11520E+03 0.34039E-01
5 0.37693E+02 0.27069E-01
6 0.51906E+01 -0.27541E+00
7 0.51212E+00 0.50000E+00
S 7
1 0.11700E+05 0.16212E-03
2 0.17627E+04 0.13221E-02
3 0.40300E+03 0.55206E-02
4 0.11520E+03 0.20179E-01
5 0.37693E+02 0.16240E-01
6 0.51906E+01 -0.17421E+00
7 0.51212E+00 0.50000E+00
S 1
1 0.34289E-01 1.0000000
S 1
1 0.11430E-01 1.0000000
P 6
1 0.20292E+03 0.26919E-01
2 0.47229E+02 0.16901E+00
3 0.14320E+02 0.46749E+00
4 0.47180E+01 0.50000E+00
5 0.11465E+01 0.77563E-01
6 0.33359E+00 -0.15304E-01
P 6
1 0.20292E+03 -0.71552E-02
2 0.47229E+02 -0.45049E-01
3 0.14320E+02 -0.14000E+00
4 0.47180E+01 -0.11626E+00
5 0.11465E+01 0.42769E+00
6 0.33359E+00 0.50000E+00
P 1
1 0.66700E-01 1.0000000
P 1
1 0.16675E-01 1.0000000
CALCIUM
S 7
1 0.13100E+05 0.66249E-02
2 0.19736E+04 0.48908E-01
3 0.45122E+03 0.21524E+00
4 0.12902E+03 0.50000E+00
5 0.42226E+02 0.43720E+00
6 0.59019E+01 0.22828E-01
7 0.62065E+00 -0.38011E-02
S 7
1 0.13100E+05 -0.84491E-03
2 0.19736E+04 -0.67975E-02
3 0.45122E+03 -0.28786E-01
4 0.12902E+03 -0.10001E+00
5 0.42226E+02 -0.82929E-01
6 0.59019E+01 0.50000E+00
7 0.62065E+00 0.46934E-01
S 7
1 0.13100E+05 0.28173E-03
2 0.19736E+04 0.22976E-02
3 0.45122E+03 0.96153E-02
4 0.12902E+03 0.35205E-01
5 0.42226E+02 0.28853E-01
6 0.59019E+01 -0.28622E+00
7 0.62065E+00 0.50000E+00
S 7
1 0.13100E+05 0.16173E-03
2 0.19736E+04 0.13195E-02
3 0.45122E+03 0.55252E-02
4 0.12902E+03 0.20293E-01
5 0.42226E+02 0.16750E-01
6 0.59019E+01 -0.17702E+00
7 0.62065E+00 0.50000E+00
S 1
1 0.48923E-01 1.0000000
S 1
1 0.16308E-01 1.0000000
P 6
1 0.23476E+03 0.25391E-01
2 0.54750E+02 0.16141E+00
3 0.16675E+02 0.45563E+00
4 0.55491E+01 0.50000E+00
5 0.14127E+01 0.83328E-01
6 0.43559E+00 -0.15832E-01
P 6
1 0.23476E+03 -0.72251E-02
2 0.54750E+02 -0.46231E-01
3 0.16675E+02 -0.14603E+00
4 0.55491E+01 -0.12928E+00
5 0.14127E+01 0.42412E+00
6 0.43559E+00 0.50000E+00
P 1
1 0.87100E-01 1.0000000
P 1
1 0.21775E-01 1.0000000
GALLIUM
S 7
1 0.32518E+05 0.64796E-02
2 0.48984E+04 0.47895E-01
3 0.11205E+04 0.21257E+00
4 0.32165E+03 0.50000E+00
5 0.10652E+03 0.45042E+00
6 0.16461E+02 0.26287E-01
7 0.19606E+01 -0.43419E-02
S 7
1 0.32518E+05 -0.86979E-03
2 0.48984E+04 -0.69755E-02
3 0.11205E+04 -0.30065E-01
4 0.32165E+03 -0.10477E+00
5 0.10652E+03 -0.93282E-01
6 0.16461E+02 0.50000E+00
7 0.19606E+01 0.45974E-01
S 7
1 0.32518E+05 0.30313E-03
2 0.48984E+04 0.24867E-02
3 0.11205E+04 0.10459E-01
4 0.32165E+03 0.39426E-01
5 0.10652E+03 0.33267E-01
6 0.16461E+02 -0.30729E+00
7 0.19606E+01 0.50000E+00
S 7
1 0.32518E+05 0.17542E-03
2 0.48984E+04 0.14405E-02
3 0.11205E+04 0.60576E-02
4 0.32165E+03 0.22957E-01
5 0.10652E+03 0.19463E-01
6 0.16461E+02 -0.19306E+00
7 0.19606E+01 0.50000E+00
S 1
1 0.13897E+00 1.0000000
S 1
1 0.46323E-01 1.0000000
P 6
1 0.66913E+03 0.22011E-01
2 0.15739E+03 0.14768E+00
3 0.49046E+02 0.44246E+00
4 0.17088E+02 0.50000E+00
5 0.48489E+01 0.85190E-01
6 0.15404E+01 -0.11890E-01
P 6
1 0.66913E+03 -0.70070E-02
2 0.15739E+03 -0.47280E-01
3 0.49046E+02 -0.16133E+00
4 0.17088E+02 -0.14368E+00
5 0.48489E+01 0.41775E+00
6 0.15404E+01 0.50000E+00
P 6
1 0.66913E+03 -0.60655E-02
2 0.15739E+03 -0.42072E-01
3 0.49046E+02 -0.13980E+00
4 0.17088E+02 -0.13597E+00
5 0.48489E+01 0.50000E+00
6 0.15404E+01 0.35834E+00
P 1
1 0.11947E+00 1.0000000
P 1
1 0.29868E-01 1.0000000
D 4
1 0.37511E+02 0.69317E-01
2 0.10190E+02 0.29699E+00
3 0.31145E+01 0.50000E+00
4 0.83319E+00 0.41181E+00
GERMANIUM
S 7
1 0.34756E+05 0.64652E-02
2 0.52355E+04 0.47793E-01
3 0.11976E+04 0.21227E+00
4 0.34385E+03 0.50000E+00
5 0.11393E+03 0.45186E+00
6 0.17697E+02 0.26657E-01
7 0.21448E+01 -0.45014E-02
S 7
1 0.34756E+05 -0.87051E-03
2 0.52355E+04 -0.69796E-02
3 0.11976E+04 -0.30121E-01
4 0.34385E+03 -0.10501E+00
5 0.11393E+03 -0.94135E-01
6 0.17697E+02 0.50000E+00
7 0.21448E+01 0.46990E-01
S 7
1 0.34756E+05 0.30600E-03
2 0.52355E+04 0.25095E-02
3 0.11976E+04 0.10570E-01
4 0.34385E+03 0.39864E-01
5 0.11393E+03 0.33925E-01
6 0.17697E+02 -0.31100E+00
7 0.21448E+01 0.50000E+00
S 7
1 0.34756E+05 0.17397E-03
2 0.52355E+04 0.14287E-02
3 0.11976E+04 0.60144E-02
4 0.34385E+03 0.22822E-01
5 0.11393E+03 0.19492E-01
6 0.17697E+02 -0.19266E+00
7 0.21448E+01 0.50000E+00
S 1
1 0.17441E+00 1.0000000
S 1
1 0.58135E-01 1.0000000
P 6
1 0.72452E+03 0.21519E-01
2 0.17051E+03 0.14503E+00
3 0.53205E+02 0.43776E+00
4 0.18584E+02 0.50000E+00
5 0.53391E+01 0.87780E-01
6 0.17314E+01 -0.12215E-01
P 6
1 0.72452E+03 -0.68930E-02
2 0.17051E+03 -0.46759E-01
3 0.53205E+02 -0.16055E+00
4 0.18584E+02 -0.14650E+00
5 0.53391E+01 0.40654E+00
6 0.17314E+01 0.50000E+00
P 6
1 0.72452E+03 -0.59909E-02
2 0.17051E+03 -0.41854E-01
3 0.53205E+02 -0.13975E+00
4 0.18584E+02 -0.13987E+00
5 0.53391E+01 0.50000E+00
6 0.17314E+01 0.36023E+00
P 1
1 0.16012E+00 1.0000000
P 1
1 0.40029E-01 1.0000000
D 4
1 0.43059E+02 0.65306E-01
2 0.11804E+02 0.28779E+00
3 0.36775E+01 0.50000E+00
4 0.10291E+01 0.40102E+00
ARSENIC
S 7
1 0.37076E+05 0.64504E-02
2 0.55849E+04 0.47689E-01
3 0.12775E+04 0.21196E+00
4 0.36685E+03 0.50000E+00
5 0.12160E+03 0.45330E+00
6 0.18979E+02 0.27025E-01
7 0.23416E+01 -0.46585E-02
S 7
1 0.37076E+05 -0.87102E-03
2 0.55849E+04 -0.69822E-02
3 0.12775E+04 -0.30170E-01
4 0.36685E+03 -0.10522E+00
5 0.12160E+03 -0.94974E-01
6 0.18979E+02 0.50000E+00
7 0.23416E+01 0.47958E-01
S 7
1 0.37076E+05 0.30870E-03
2 0.55849E+04 0.25309E-02
3 0.12775E+04 0.10677E-01
4 0.36685E+03 0.40279E-01
5 0.12160E+03 0.34578E-01
6 0.18979E+02 -0.31468E+00
7 0.23416E+01 0.50000E+00
S 7
1 0.37076E+05 0.17282E-03
2 0.55849E+04 0.14192E-02
3 0.12775E+04 0.59809E-02
4 0.36685E+03 0.22726E-01
5 0.12160E+03 0.19551E-01
6 0.18979E+02 -0.19261E+00
7 0.23416E+01 0.50000E+00
S 1
1 0.21089E+00 1.0000000
S 1
1 0.70295E-01 1.0000000
P 6
1 0.78136E+03 0.21115E-01
2 0.18397E+03 0.14286E+00
3 0.57480E+02 0.43386E+00
4 0.20130E+02 0.50000E+00
5 0.58418E+01 0.90099E-01
6 0.19352E+01 -0.12582E-01
P 6
1 0.78136E+03 -0.68265E-02
2 0.18397E+03 -0.46501E-01
3 0.57480E+02 -0.16061E+00
4 0.20130E+02 -0.14916E+00
5 0.58418E+01 0.39850E+00
6 0.19352E+01 0.50000E+00
P 6
1 0.78136E+03 -0.59138E-02
2 0.18397E+03 -0.41566E-01
3 0.57480E+02 -0.13940E+00
4 0.20130E+02 -0.14268E+00
5 0.58418E+01 0.50000E+00
6 0.19352E+01 0.35672E+00
P 1
1 0.20202E+00 1.0000000
P 1
1 0.50504E-01 1.0000000
D 4
1 0.48794E+02 0.62126E-01
2 0.13477E+02 0.28036E+00
3 0.42626E+01 0.50000E+00
4 0.12350E+01 0.39254E+00
SELENIUM
S 7
1 0.39475E+05 0.64361E-02
2 0.59461E+04 0.47590E-01
3 0.13602E+04 0.21165E+00
4 0.39064E+03 0.50000E+00
5 0.12953E+03 0.45473E+00
6 0.20309E+02 0.27392E-01
7 0.25506E+01 -0.48156E-02
S 7
1 0.39475E+05 -0.87145E-03
2 0.59461E+04 -0.69843E-02
3 0.13602E+04 -0.30215E-01
4 0.39064E+03 -0.10542E+00
5 0.12953E+03 -0.95798E-01
6 0.20309E+02 0.50000E+00
7 0.25506E+01 0.48904E-01
S 7
1 0.39475E+05 0.31130E-03
2 0.59461E+04 0.25513E-02
3 0.13602E+04 0.10780E-01
4 0.39064E+03 0.40677E-01
5 0.12953E+03 0.35226E-01
6 0.20309E+02 -0.31831E+00
7 0.25506E+01 0.50000E+00
S 7
1 0.39475E+05 0.17182E-03
2 0.59461E+04 0.14111E-02
3 0.13602E+04 0.59528E-02
4 0.39064E+03 0.22647E-01
5 0.12953E+03 0.19626E-01
6 0.20309E+02 -0.19275E+00
7 0.25506E+01 0.50000E+00
S 1
1 0.24979E+00 1.0000000
S 1
1 0.83263E-01 1.0000000
P 6
1 0.83900E+03 0.20814E-01
2 0.19762E+03 0.14130E+00
3 0.61821E+02 0.43103E+00
4 0.21706E+02 0.50000E+00
5 0.63458E+01 0.91969E-01
6 0.21475E+01 -0.12998E-01
P 6
1 0.83900E+03 -0.68145E-02
2 0.19762E+03 -0.46557E-01
3 0.61821E+02 -0.16168E+00
4 0.21706E+02 -0.15159E+00
5 0.63458E+01 0.39440E+00
6 0.21475E+01 0.50000E+00
P 6
1 0.83900E+03 -0.58001E-02
2 0.19762E+03 -0.40994E-01
3 0.61821E+02 -0.13788E+00
4 0.21706E+02 -0.14360E+00
5 0.63458E+01 0.50000E+00
6 0.21475E+01 0.33994E+00
P 1
1 0.24524E+00 1.0000000
P 1
1 0.61310E-01 1.0000000
D 4
1 0.54720E+02 0.59557E-01
2 0.15209E+02 0.27431E+00
3 0.48700E+01 0.50000E+00
4 0.14509E+01 0.38567E+00
BROMINE
S 7
1 0.41956E+05 0.64215E-02
2 0.63198E+04 0.47487E-01
3 0.14457E+04 0.21134E+00
4 0.41524E+03 0.50000E+00
5 0.13773E+03 0.45616E+00
6 0.21686E+02 0.27752E-01
7 0.27710E+01 -0.49678E-02
S 7
1 0.41956E+05 -0.87170E-03
2 0.63198E+04 -0.69847E-02
3 0.14457E+04 -0.30252E-01
4 0.41524E+03 -0.10560E+00
5 0.13773E+03 -0.96604E-01
6 0.21686E+02 0.50000E+00
7 0.27710E+01 0.49789E-01
S 7
1 0.41956E+05 0.31368E-03
2 0.63198E+04 0.25700E-02
3 0.14457E+04 0.10875E-01
4 0.41524E+03 0.41048E-01
5 0.13773E+03 0.35855E-01
6 0.21686E+02 -0.32181E+00
7 0.27710E+01 0.50000E+00
S 7
1 0.41956E+05 0.17100E-03
2 0.63198E+04 0.14043E-02
3 0.14457E+04 0.59304E-02
4 0.41524E+03 0.22591E-01
5 0.13773E+03 0.19718E-01
6 0.21686E+02 -0.19307E+00
7 0.27710E+01 0.50000E+00
S 1
1 0.29002E+00 1.0000000
S 1
1 0.96674E-01 1.0000000
P 6
1 0.89656E+03 0.20639E-01
2 0.21126E+03 0.14047E+00
3 0.66163E+02 0.42956E+00
4 0.23291E+02 0.50000E+00
5 0.68373E+01 0.93239E-01
6 0.23641E+01 -0.13486E-01
P 6
1 0.89656E+03 -0.68701E-02
2 0.21126E+03 -0.47007E-01
3 0.66163E+02 -0.16402E+00
4 0.23291E+02 -0.15377E+00
5 0.68373E+01 0.39517E+00
6 0.23641E+01 0.50000E+00
P 6
1 0.89656E+03 -0.56951E-02
2 0.21126E+03 -0.40391E-01
3 0.66163E+02 -0.13628E+00
4 0.23291E+02 -0.14269E+00
5 0.68373E+01 0.50000E+00
6 0.23641E+01 0.32013E+00
P 1
1 0.29044E+00 1.0000000
P 1
1 0.72610E-01 1.0000000
D 4
1 0.60862E+02 0.57410E-01
2 0.17007E+02 0.26921E+00
3 0.55023E+01 0.50000E+00
4 0.16773E+01 0.37994E+00
KRYPTON
S 7
1 0.44517E+05 0.64072E-02
2 0.67055E+04 0.47387E-01
3 0.15339E+04 0.21103E+00
4 0.44062E+03 0.50000E+00
5 0.14618E+03 0.45755E+00
6 0.23110E+02 0.28105E-01
7 0.30025E+01 -0.51152E-02
S 7
1 0.44517E+05 -0.87186E-03
2 0.67055E+04 -0.69845E-02
3 0.15339E+04 -0.30286E-01
4 0.44062E+03 -0.10576E+00
5 0.14618E+03 -0.97387E-01
6 0.23110E+02 0.50000E+00
7 0.30025E+01 0.50619E-01
S 7
1 0.44517E+05 0.31589E-03
2 0.67055E+04 0.25872E-02
3 0.15339E+04 0.10963E-01
4 0.44062E+03 0.41394E-01
5 0.14618E+03 0.36463E-01
6 0.23110E+02 -0.32515E+00
7 0.30025E+01 0.50000E+00
S 7
1 0.44517E+05 0.17032E-03
2 0.67055E+04 0.13987E-02
3 0.15339E+04 0.59124E-02
4 0.44062E+03 0.22551E-01
5 0.14618E+03 0.19820E-01
6 0.23110E+02 -0.19352E+00
7 0.30025E+01 0.50000E+00
S 1
1 0.33188E+00 1.0000000
S 1
1 0.11063E+00 1.0000000
P 6
1 0.95381E+03 0.20576E-01
2 0.22482E+03 0.14031E+00
3 0.70490E+02 0.42930E+00
4 0.24881E+02 0.50000E+00
5 0.73138E+01 0.93974E-01
6 0.25832E+01 -0.14047E-01
P 6
1 0.95381E+03 -0.69883E-02
2 0.22482E+03 -0.47830E-01
3 0.70490E+02 -0.16755E+00
4 0.24881E+02 -0.15577E+00
5 0.73138E+01 0.40050E+00
6 0.25832E+01 0.50000E+00
P 6
1 0.95381E+03 -0.56004E-02
2 0.22482E+03 -0.39776E-01
3 0.70490E+02 -0.13466E+00
4 0.24881E+02 -0.14021E+00
5 0.73138E+01 0.50000E+00
6 0.25832E+01 0.29866E+00
P 1
1 0.33864E+00 1.0000000
P 1
1 0.84661E-01 1.0000000
D 4
1 0.67223E+02 0.55591E-01
2 0.18872E+02 0.26487E+00
3 0.61596E+01 0.50000E+00
4 0.19141E+01 0.37507E+00

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@ -0,0 +1,496 @@
HYDROGEN
S 2
1 0.434480E+01 0.906615E-01
2 0.660491E+00 0.500000E+00
S 1
1 0.136687E+00 1.0000000
S 1
1 0.271740E-01 1.0000000
HELIUM
S 2
1 0.132100E+02 0.102573E+00
2 0.194344E+01 0.500000E+00
S 1
1 0.354434E+00 1.0000000
S 1
1 0.623700E-01 1.0000000
LITHIUM
S 3
1 0.975848E+02 0.296280E-01
2 0.147546E+02 0.190413E+00
3 0.322332E+01 0.500000E+00
S 3
1 0.147546E+02 -0.641345E-02
2 0.322332E+01 -0.986683E-01
3 0.787889E+00 -0.500000E+00
S 1
1 0.510091E-01 1.0000000
S 1
1 0.122900E-01 1.0000000
P 2
1 0.214500E+01 0.175367E-01
2 0.330000E+00 0.500000E+00
P 1
1 0.368700E-01 1.0000000
BERYLLIUM
S 3
1 0.187544E+03 0.330690E-01
2 0.283449E+02 0.219905E+00
3 0.626138E+01 0.500000E+00
S 3
1 0.283449E+02 -0.192899E-02
2 0.626138E+01 -0.153342E+00
3 0.158372E+01 -0.500000E+00
S 1
1 0.108575E+00 1.0000000
S 1
1 0.258500E-01 1.0000000
P 2
1 0.279500E+01 0.387621E-01
2 0.430000E+00 0.500000E+00
P 1
1 0.775500E-01 1.0000000
BORON
S 3
1 0.303729E+03 0.360008E-01
2 0.458945E+02 0.243709E+00
3 0.102055E+02 0.500000E+00
S 3
1 0.458945E+02 -0.164072E-03
2 0.102055E+02 -0.182434E+00
3 0.263484E+01 -0.500000E+00
S 1
1 0.193796E+00 1.0000000
S 1
1 0.456000E-01 1.0000000
P 3
1 0.181374E+02 0.106434E-01
2 0.279036E+01 0.104662E+00
3 0.541947E+00 0.500000E+00
P 1
1 0.118759E+00 1.0000000
P 1
1 0.249400E-01 1.0000000
CARBON
S 3
1 0.446509E+03 0.399403E-01
2 0.674620E+02 0.276430E+00
3 0.150674E+02 0.500000E+00
S 3
1 0.674620E+02 0.202839E-02
2 0.150674E+02 -0.209826E+00
3 0.393876E+01 -0.500000E+00
S 1
1 0.299915E+00 1.0000000
S 1
1 0.697480E-01 1.0000000
P 3
1 0.283900E+02 0.106039E-01
2 0.436769E+01 0.110992E+00
3 0.869817E+00 0.500000E+00
P 1
1 0.188934E+00 1.0000000
P 1
1 0.393610E-01 1.0000000
NITROGEN
S 3
1 0.615850E+03 0.453562E-01
2 0.930439E+02 0.321738E+00
3 0.208479E+02 0.500000E+00
S 3
1 0.930439E+02 0.461754E-02
2 0.208479E+02 -0.237770E+00
3 0.549589E+01 -0.500000E+00
S 1
1 0.426240E+00 1.0000000
S 1
1 0.979860E-01 1.0000000
P 3
1 0.407418E+02 0.105493E-01
2 0.626797E+01 0.115630E+00
3 0.126901E+01 0.500000E+00
P 1
1 0.273903E+00 1.0000000
P 1
1 0.567090E-01 1.0000000
OXYGEN
S 3
1 0.812125E+03 0.524568E-01
2 0.122693E+03 0.381395E+00
3 0.275608E+02 0.500000E+00
S 3
1 0.122693E+03 0.734305E-02
2 0.275608E+02 -0.264795E+00
3 0.731726E+01 -0.500000E+00
S 1
1 0.579240E+00 1.0000000
S 1
1 0.131650E+00 1.0000000
P 3
1 0.534157E+02 0.109414E-01
2 0.821779E+01 0.122418E+00
3 0.167544E+01 0.500000E+00
P 1
1 0.350672E+00 1.0000000
P 1
1 0.704160E-01 1.0000000
FLUORINE
S 3
1 0.103509E+04 0.618260E-01
2 0.156377E+03 0.460194E+00
3 0.351961E+02 0.500000E+00
S 3
1 0.156377E+03 0.100462E-01
2 0.351961E+02 -0.290560E+00
3 0.939211E+01 -0.500000E+00
S 1
1 0.753418E+00 1.0000000
S 1
1 0.169310E+00 1.0000000
P 3
1 0.688964E+02 0.110430E-01
2 0.105994E+02 0.126069E+00
3 0.217334E+01 0.500000E+00
P 1
1 0.448707E+00 1.0000000
P 1
1 0.890290E-01 1.0000000
NEON
S 3
1 0.128446E+04 0.657922E-01
2 0.194051E+03 0.500000E+00
3 0.437457E+02 0.443521E+00
S 3
1 0.194051E+03 0.125178E-01
2 0.437457E+02 -0.314374E+00
3 0.117195E+02 -0.500000E+00
S 1
1 0.947459E+00 1.0000000
S 1
1 0.210500E+00 1.0000000
P 3
1 0.867619E+02 0.110504E-01
2 0.133480E+02 0.128472E+00
3 0.275089E+01 0.500000E+00
P 1
1 0.564341E+00 1.0000000
P 1
1 0.111200E+00 1.0000000
SODIUM
S 5
1 0.455347E+04 0.563471E-02
2 0.685093E+03 0.420947E-01
3 0.155731E+03 0.190101E+00
4 0.433706E+02 0.500000E+00
5 0.133395E+02 0.491311E+00
S 5
1 0.685093E+03 0.292439E-03
2 0.155731E+03 0.343942E-02
3 0.433706E+02 0.412259E-01
4 0.133395E+02 0.109845E+00
5 0.231060E+01 -0.500000E+00
S 5
1 0.155731E+03 -0.425359E-04
2 0.433706E+02 -0.996727E-04
3 0.133395E+02 0.192127E-02
4 0.231060E+01 -0.718878E-01
5 0.706688E+00 -0.500000E+00
S 1
1 0.459422E-01 1.0000000
S 1
1 0.114100E-01 1.0000000
P 5
1 0.245653E+03 0.276204E-02
2 0.377928E+02 0.426656E-01
3 0.841339E+01 0.227581E+00
4 0.232105E+01 0.500000E+00
5 0.606579E+00 0.389920E+00
P 1
1 0.950000E-01 1.0000000
P 1
1 0.316700E-01 1.0000000
MAGNESIUM
S 5
1 0.552080E+04 0.550754E-02
2 0.830563E+03 0.411955E-01
3 0.188813E+03 0.186793E+00
4 0.526377E+02 0.496595E+00
5 0.162329E+02 0.500000E+00
S 5
1 0.830563E+03 0.423552E-03
2 0.188813E+03 0.409799E-02
3 0.526377E+02 0.531037E-01
4 0.162329E+02 0.134466E+00
5 0.292750E+01 -0.500000E+00
S 5
1 0.188813E+03 0.499220E-03
2 0.526377E+02 0.425265E-02
3 0.162329E+02 0.200485E-01
4 0.292750E+01 -0.170801E+00
5 0.947865E+00 -0.500000E+00
S 1
1 0.763610E-01 1.0000000
S 1
1 0.198900E-01 1.0000000
P 5
1 0.321446E+03 0.249849E-02
2 0.494532E+02 0.398794E-01
3 0.111157E+02 0.217888E+00
4 0.312725E+01 0.500000E+00
5 0.859401E+00 0.384796E+00
P 1
1 0.160000E+00 1.0000000
P 1
1 0.533300E-01 1.0000000
ALUMINUM
S 5
1 0.658711E+04 0.530939E-02
2 0.990919E+03 0.397560E-01
3 0.225287E+03 0.180899E+00
4 0.628659E+02 0.485575E+00
5 0.194320E+02 0.500000E+00
S 5
1 0.990919E+03 0.519023E-03
2 0.225287E+03 0.470398E-02
3 0.628659E+02 0.629492E-01
4 0.194320E+02 0.157931E+00
5 0.362074E+01 -0.500000E+00
S 5
1 0.225287E+03 0.652676E-03
2 0.628659E+02 0.553812E-02
3 0.194320E+02 0.260907E-01
4 0.362074E+01 -0.197344E+00
5 0.122881E+01 -0.500000E+00
S 1
1 0.120680E+00 1.0000000
S 1
1 0.289800E-01 1.0000000
P 5
1 0.470372E+03 -0.197155E-02
2 0.723649E+02 -0.334349E-01
3 0.165426E+02 -0.193303E+00
4 0.482391E+01 -0.500000E+00
5 0.143358E+01 -0.486505E+00
P 4
1 0.165426E+02 -0.146469E-02
2 0.482391E+01 -0.860812E-02
3 0.143358E+01 -0.131222E-02
4 0.276885E+00 0.500000E+00
P 1
1 0.698563E-01 1.0000000
P 1
1 0.167800E-01 1.0000000
SILICON
S 5
1 0.774301E+04 0.513973E-02
2 0.116473E+04 0.385303E-01
3 0.264821E+03 0.175809E+00
4 0.739675E+02 0.476180E+00
5 0.229125E+02 0.500000E+00
S 5
1 0.116473E+04 -0.656855E-03
2 0.264821E+03 -0.545591E-02
3 0.739675E+02 -0.760933E-01
4 0.229125E+02 -0.186348E+00
5 0.437414E+01 0.500000E+00
S 5
1 0.264821E+03 0.807665E-03
2 0.739675E+02 0.684871E-02
3 0.229125E+02 0.322462E-01
4 0.437414E+01 -0.224169E+00
5 0.153907E+01 -0.500000E+00
S 1
1 0.167749E+00 1.0000000
S 1
1 0.427300E-01 1.0000000
P 5
1 0.624520E+03 -0.158943E-02
2 0.960800E+02 -0.278384E-01
3 0.221500E+02 -0.167156E+00
4 0.656300E+01 -0.462504E+00
5 0.202500E+01 -0.500000E+00
P 5
1 0.960800E+02 0.935598E-04
2 0.221500E+02 -0.199253E-02
3 0.656300E+01 -0.103418E-01
4 0.202500E+01 -0.137292E-01
5 0.477800E+00 0.500000E+00
P 1
1 0.128240E+00 1.0000000
P 1
1 0.326660E-01 1.0000000
PHOSPHORUS
S 5
1 0.899080E+04 0.498263E-02
2 0.135236E+04 0.374008E-01
3 0.307498E+03 0.171072E+00
4 0.859408E+02 0.467914E+00
5 0.266714E+02 0.500000E+00
S 5
1 0.135236E+04 -0.859457E-03
2 0.307498E+03 -0.645999E-02
3 0.859408E+02 -0.945712E-01
4 0.266714E+02 -0.223733E+00
5 0.518810E+01 0.500000E+00
S 5
1 0.307498E+03 0.959107E-03
2 0.859408E+02 0.814407E-02
3 0.266714E+02 0.383039E-01
4 0.518810E+01 -0.249872E+00
5 0.187780E+01 -0.500000E+00
S 1
1 0.220100E+00 1.0000000
S 1
1 0.560690E-01 1.0000000
P 5
1 0.725670E+03 -0.165519E-02
2 0.111642E+03 -0.290376E-01
3 0.257839E+02 -0.175620E+00
4 0.767250E+01 -0.482659E+00
5 0.239958E+01 -0.500000E+00
P 5
1 0.111642E+03 -0.483849E-04
2 0.257839E+02 0.179644E-02
3 0.767250E+01 0.106457E-01
4 0.239958E+01 0.465612E-02
5 0.549434E+00 -0.500000E+00
P 1
1 0.147479E+00 1.0000000
P 1
1 0.375690E-01 1.0000000
SULFUR
S 5
1 0.103298E+05 0.483130E-02
2 0.155372E+04 0.363190E-01
3 0.353302E+03 0.166458E+00
4 0.988050E+02 0.460074E+00
5 0.307160E+02 0.500000E+00
S 5
1 0.155372E+04 -0.111528E-02
2 0.353302E+03 -0.770629E-02
3 0.988050E+02 -0.117729E+00
4 0.307160E+02 -0.270034E+00
5 0.606325E+01 0.500000E+00
S 5
1 0.353302E+03 -0.106153E-02
2 0.988050E+02 -0.904527E-02
3 0.307160E+02 -0.426944E-01
4 0.606325E+01 0.268482E+00
5 0.224749E+01 0.500000E+00
S 1
1 0.278535E+00 1.0000000
S 1
1 0.707490E-01 1.0000000
P 5
1 0.843459E+03 0.167470E-02
2 0.129763E+03 0.294832E-01
3 0.300246E+02 0.180107E+00
4 0.897333E+01 0.495226E+00
5 0.284402E+01 0.500000E+00
P 5
1 0.129763E+03 -0.660326E-04
2 0.300246E+02 -0.171033E-02
3 0.897333E+01 -0.139846E-01
4 0.284402E+01 0.634962E-02
5 0.633607E+00 0.500000E+00
P 1
1 0.169552E+00 1.0000000
P 1
1 0.430670E-01 1.0000000
CHLORINE
S 5
1 0.117590E+05 0.466299E-02
2 0.176863E+04 0.351294E-01
3 0.402188E+03 0.161274E+00
4 0.112540E+03 0.451912E+00
5 0.350390E+02 0.500000E+00
S 5
1 0.176863E+04 -0.154148E-02
2 0.402188E+03 -0.965238E-02
3 0.112540E+03 -0.155126E+00
4 0.350390E+02 -0.341780E+00
5 0.699558E+01 0.500000E+00
S 5
1 0.402188E+03 -0.116501E-02
2 0.112540E+03 -0.995777E-02
3 0.350390E+02 -0.470881E-01
4 0.699558E+01 0.287599E+00
5 0.264547E+01 0.500000E+00
S 1
1 0.341568E+00 1.0000000
S 1
1 0.865770E-01 1.0000000
P 5
1 0.979321E+03 0.165135E-02
2 0.150665E+03 0.292007E-01
3 0.349330E+02 0.180449E+00
4 0.104915E+02 0.498570E+00
5 0.337258E+01 0.500000E+00
P 5
1 0.150665E+03 -0.115439E-03
2 0.349330E+02 -0.174772E-02
3 0.104915E+02 -0.160401E-01
4 0.337258E+01 0.109079E-01
5 0.759889E+00 0.500000E+00
P 1
1 0.202894E+00 1.0000000
P 1
1 0.514270E-01 1.0000000
ARGON
S 5
1 0.132772E+05 0.443033E-02
2 0.199692E+04 0.335066E-01
3 0.454119E+03 0.154023E+00
4 0.127136E+03 0.441602E+00
5 0.396371E+02 0.500000E+00
S 5
1 0.199692E+04 -0.239589E-02
2 0.454119E+03 -0.134112E-01
3 0.127136E+03 -0.228752E+00
4 0.396371E+02 -0.479355E+00
5 0.798167E+01 0.500000E+00
S 5
1 0.454119E+03 -0.126940E-02
2 0.127136E+03 -0.108806E-01
3 0.396371E+02 -0.514857E-01
4 0.798167E+01 0.307614E+00
5 0.307062E+01 0.500000E+00
S 1
1 0.409083E+00 1.0000000
S 1
1 0.103900E+00 1.0000000
P 5
1 0.112602E+04 0.162650E-02
2 0.173234E+03 0.288626E-01
3 0.402385E+02 0.180255E+00
4 0.121389E+02 0.500000E+00
5 0.395271E+01 0.499625E+00
P 5
1 0.173234E+03 -0.145937E-03
2 0.402385E+02 -0.180960E-02
3 0.121389E+02 -0.176098E-01
4 0.395271E+01 0.136627E-01
5 0.906259E+00 0.500000E+00
P 1
1 0.242517E+00 1.0000000
P 1
1 0.616000E-01 1.0000000

713
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@ -0,0 +1,713 @@
HYDROGEN
S 3
1 0.122519E+02 0.229832E-01
2 0.186872E+01 0.156851E+00
3 0.418210E+00 0.500000E+00
S 1
1 0.106100E+00 1.0000000
S 1
1 0.256280E-01 1.0000000
P 2
1 0.900000E+01 0.203780E-01
2 0.100000E+01 0.500000E+00
P 1
1 0.768840E-01 1.0000000
HELIUM
S 3
1 0.368653E+02 0.275601E-01
2 0.558019E+01 0.178608E+00
3 0.119170E+01 0.500000E+00
S 1
1 0.268924E+00 1.0000000
S 1
1 0.580700E-01 1.0000000
P 2
1 0.130500E+02 0.276820E-01
2 0.145000E+01 0.500000E+00
P 1
1 0.174200E+00 1.0000000
LITHIUM
S 5
1 0.266428E+03 0.699395E-02
2 0.401604E+02 0.508086E-01
3 0.910819E+01 0.217698E+00
4 0.245430E+01 0.500000E+00
5 0.696259E+00 0.416150E+00
S 5
1 0.401604E+02 0.145659E-03
2 0.910819E+01 -0.295841E-02
3 0.245430E+01 -0.128244E-01
4 0.696259E+00 -0.893532E-01
5 0.837261E-01 0.500000E+00
S 1
1 0.308266E-01 1.0000000
S 1
1 0.105700E-01 1.0000000
P 2
1 0.105300E+02 0.354333E-01
2 0.162000E+01 0.500000E+00
P 1
1 0.320000E+00 1.0000000
P 1
1 0.900000E-01 1.0000000
P 1
1 0.317100E-01 1.0000000
BERYLLIUM
S 5
1 0.514895E+03 0.639786E-02
2 0.775583E+02 0.471101E-01
3 0.176095E+02 0.203930E+00
4 0.480798E+01 0.500000E+00
5 0.140850E+01 0.429470E+00
S 5
1 0.775583E+02 0.685100E-05
2 0.176095E+02 -0.288354E-02
3 0.480798E+01 -0.198587E-01
4 0.140850E+01 -0.865217E-01
5 0.190689E+00 0.500000E+00
S 1
1 0.611249E-01 1.0000000
S 1
1 0.184100E-01 1.0000000
P 2
1 0.222300E+02 0.348402E-01
2 0.342000E+01 0.500000E+00
P 1
1 0.680000E+00 1.0000000
P 1
1 0.190000E+00 1.0000000
P 1
1 0.552300E-01 1.0000000
BORON
S 5
1 0.843975E+03 0.610128E-02
2 0.127077E+03 0.453205E-01
3 0.288624E+02 0.197514E+00
4 0.792974E+01 0.500000E+00
5 0.236371E+01 0.439898E+00
S 5
1 0.127077E+03 -0.486480E-05
2 0.288624E+02 -0.299592E-02
3 0.792974E+01 -0.223632E-01
4 0.236371E+01 -0.880398E-01
5 0.346703E+00 0.500000E+00
S 1
1 0.105954E+00 1.0000000
S 1
1 0.305200E-01 1.0000000
P 3
1 0.377831E+02 0.733984E-02
2 0.581278E+01 0.967415E-01
3 0.120024E+01 0.500000E+00
P 1
1 0.326860E+00 1.0000000
P 1
1 0.862643E-01 1.0000000
P 1
1 0.216300E-01 1.0000000
D 1
1 0.700000E+00 1.0000000
D 1
1 0.648800E-01 1.0000000
CARBON
S 5
1 0.125264E+04 0.594783E-02
2 0.188566E+03 0.443418E-01
3 0.428391E+02 0.194685E+00
4 0.118181E+02 0.500000E+00
5 0.355674E+01 0.450228E+00
S 5
1 0.188566E+03 -0.448491E-04
2 0.428391E+02 -0.296904E-02
3 0.118181E+02 -0.247826E-01
4 0.355674E+01 -0.875213E-01
5 0.542575E+00 0.500000E+00
S 1
1 0.160585E+00 1.0000000
S 1
1 0.448560E-01 1.0000000
P 3
1 0.594271E+02 0.689183E-02
2 0.914263E+01 0.953666E-01
3 0.192985E+01 0.500000E+00
P 1
1 0.525223E+00 1.0000000
P 1
1 0.136083E+00 1.0000000
P 1
1 0.335180E-01 1.0000000
D 1
1 0.800000E+00 1.0000000
D 1
1 0.100550E+00 1.0000000
NITROGEN
S 5
1 0.174215E+04 0.585701E-02
2 0.262213E+03 0.437185E-01
3 0.595848E+02 0.193329E+00
4 0.164888E+02 0.500000E+00
5 0.499450E+01 0.460011E+00
S 5
1 0.262213E+03 -0.942559E-04
2 0.595848E+02 -0.293616E-02
3 0.164888E+02 -0.273104E-01
4 0.499450E+01 -0.880436E-01
5 0.786729E+00 0.500000E+00
S 1
1 0.228369E+00 1.0000000
S 1
1 0.627390E-01 1.0000000
P 3
1 0.853554E+02 0.662183E-02
2 0.131316E+02 0.939171E-01
3 0.281081E+01 0.500000E+00
P 1
1 0.763512E+00 1.0000000
P 1
1 0.195601E+00 1.0000000
P 1
1 0.477070E-01 1.0000000
D 1
1 0.900000E+00 1.0000000
D 1
1 0.143120E+00 1.0000000
OXYGEN
S 5
1 0.230675E+04 0.580678E-02
2 0.347150E+03 0.433462E-01
3 0.788896E+02 0.192889E+00
4 0.218763E+02 0.500000E+00
5 0.666456E+01 0.466047E+00
S 5
1 0.347150E+03 -0.155510E-03
2 0.788896E+02 -0.279644E-02
3 0.218763E+02 -0.292957E-01
4 0.666456E+01 -0.856418E-01
5 0.106692E+01 0.500000E+00
S 1
1 0.307004E+00 1.0000000
S 1
1 0.834250E-01 1.0000000
P 3
1 0.110642E+03 0.666858E-02
2 0.170219E+02 0.957249E-01
3 0.368382E+01 0.500000E+00
P 1
1 0.992342E+00 1.0000000
P 1
1 0.244868E+00 1.0000000
P 1
1 0.576160E-01 1.0000000
D 1
1 0.100000E+01 1.0000000
D 1
1 0.172850E+00 1.0000000
FLUORINE
S 5
1 0.295464E+04 0.576473E-02
2 0.444615E+03 0.430254E-01
3 0.101047E+03 0.192490E+00
4 0.280679E+02 0.500000E+00
5 0.858366E+01 0.472183E+00
S 5
1 0.444615E+03 -0.206844E-03
2 0.101047E+03 -0.270703E-02
3 0.280679E+02 -0.311578E-01
4 0.858366E+01 -0.850442E-01
5 0.139861E+01 0.500000E+00
S 1
1 0.399692E+00 1.0000000
S 1
1 0.108020E+00 1.0000000
P 3
1 0.142242E+03 0.662096E-02
2 0.218834E+02 0.963064E-01
3 0.477691E+01 0.500000E+00
P 1
1 0.128233E+01 1.0000000
P 1
1 0.311272E+00 1.0000000
P 1
1 0.720540E-01 1.0000000
D 1
1 0.110000E+01 1.0000000
D 1
1 0.216160E+00 1.0000000
NEON
S 5
1 0.368010E+04 0.573658E-02
2 0.553749E+03 0.428055E-01
3 0.125865E+03 0.192293E+00
4 0.350132E+02 0.500000E+00
5 0.107389E+02 0.477031E+00
S 5
1 0.553749E+03 -0.249462E-03
2 0.125865E+03 -0.262687E-02
3 0.350132E+02 -0.326685E-01
4 0.107389E+02 -0.841644E-01
5 0.176925E+01 0.500000E+00
S 1
1 0.501491E+00 1.0000000
S 1
1 0.134500E+00 1.0000000
P 3
1 0.178762E+03 0.655124E-02
2 0.275018E+02 0.963990E-01
3 0.603973E+01 0.500000E+00
P 1
1 0.161900E+01 1.0000000
P 1
1 0.389699E+00 1.0000000
P 1
1 0.895000E-01 1.0000000
D 1
1 0.120000E+01 1.0000000
D 1
1 0.268500E+00 1.0000000
SODIUM
S 8
1 0.232073E+05 0.773067E-03
2 0.348157E+04 0.593743E-02
3 0.792719E+03 0.305442E-01
4 0.224591E+03 0.114915E+00
5 0.730882E+02 0.318473E+00
6 0.261900E+02 0.500000E+00
7 0.986609E+01 0.309283E+00
8 0.221551E+01 0.232380E-01
S 8
1 0.348157E+04 0.294177E-04
2 0.792719E+03 0.195444E-04
3 0.224591E+03 0.199739E-02
4 0.730882E+02 0.823042E-02
5 0.261900E+02 0.575409E-01
6 0.986609E+01 0.545334E-01
7 0.221551E+01 -0.487102E+00
8 0.685899E+00 -0.500000E+00
S 8
1 0.792719E+03 -0.476170E-05
2 0.224591E+03 -0.535715E-04
3 0.730882E+02 -0.537986E-03
4 0.261900E+02 -0.217439E-02
5 0.986609E+01 -0.335713E-02
6 0.221551E+01 0.134113E-01
7 0.685899E+00 -0.801301E-01
8 0.703365E-01 0.500000E+00
S 1
1 0.260749E-01 1.0000000
S 1
1 0.900100E-02 1.0000000
P 5
1 0.881090E+03 0.410681E-03
2 0.135552E+03 0.811252E-02
3 0.315620E+02 0.602950E-01
4 0.967739E+01 0.222457E+00
5 0.336910E+01 0.500000E+00
P 1
1 0.117033E+01 1.0000000
P 1
1 0.376514E+00 1.0000000
P 1
1 0.750000E-01 1.0000000
P 1
1 0.250000E-01 1.0000000
MAGNESIUM
S 8
1 0.287060E+05 0.738908E-03
2 0.430660E+04 0.567856E-02
3 0.980543E+03 0.292328E-01
4 0.277763E+03 0.110638E+00
5 0.903864E+02 0.309890E+00
6 0.323745E+02 0.500000E+00
7 0.121773E+02 0.323253E+00
8 0.281661E+01 0.269750E-01
S 8
1 0.430660E+04 0.243425E-04
2 0.980543E+03 0.260054E-04
3 0.277763E+03 0.177271E-02
4 0.903864E+02 0.807421E-02
5 0.323745E+02 0.547726E-01
6 0.121773E+02 0.601187E-01
7 0.281661E+01 -0.458634E+00
8 0.921734E+00 -0.500000E+00
S 8
1 0.980543E+03 -0.426550E-05
2 0.277763E+03 -0.480060E-04
3 0.903864E+02 -0.483575E-03
4 0.323745E+02 -0.195893E-02
5 0.121773E+02 -0.287294E-02
6 0.281661E+01 0.211102E-02
7 0.921734E+00 -0.108558E+00
8 0.127095E+00 0.500000E+00
S 1
1 0.460799E-01 1.0000000
S 1
1 0.155800E-01 1.0000000
P 5
1 0.115439E+04 0.379456E-03
2 0.177598E+03 0.745709E-02
3 0.414419E+02 0.571125E-01
4 0.128181E+02 0.214951E+00
5 0.451735E+01 0.500000E+00
P 1
1 0.161280E+01 1.0000000
P 1
1 0.545313E+00 1.0000000
P 1
1 0.135000E+00 1.0000000
P 1
1 0.450000E-01 1.0000000
ALUMINUM
S 8
1 0.347021E+05 0.714509E-03
2 0.520595E+04 0.549433E-02
3 0.118524E+04 0.282974E-01
4 0.335698E+03 0.107595E+00
5 0.109232E+03 0.303720E+00
6 0.391198E+02 0.500000E+00
7 0.147087E+02 0.334034E+00
8 0.348959E+01 0.302687E-01
S 8
1 0.520595E+04 -0.210249E-04
2 0.118524E+04 -0.303286E-04
3 0.335698E+03 -0.162793E-02
4 0.109232E+03 -0.798925E-02
5 0.391198E+02 -0.531460E-01
6 0.147087E+02 -0.643159E-01
7 0.348959E+01 0.438479E+00
8 0.119362E+01 0.500000E+00
S 8
1 0.118524E+04 -0.495990E-05
2 0.335698E+03 -0.564258E-04
3 0.109232E+03 -0.568945E-03
4 0.391198E+02 -0.238914E-02
5 0.147087E+02 -0.354132E-02
6 0.348959E+01 0.178214E-02
7 0.119362E+01 -0.114407E+00
8 0.195848E+00 0.500000E+00
S 1
1 0.714389E-01 1.0000000
S 1
1 0.242900E-01 1.0000000
P 6
1 0.165334E+04 0.193094E-03
2 0.254359E+03 0.385313E-02
3 0.595137E+02 0.308476E-01
4 0.187084E+02 0.126721E+00
5 0.673615E+01 0.331772E+00
6 0.250453E+01 0.500000E+00
P 6
1 0.254359E+03 -0.202777E-03
2 0.595137E+02 -0.115906E-02
3 0.187084E+02 -0.191642E-01
4 0.673615E+01 -0.726168E-01
5 0.250453E+01 -0.197841E+00
6 0.908205E+00 0.500000E+00
P 1
1 0.209090E+00 1.0000000
P 1
1 0.569900E-01 1.0000000
P 1
1 0.147300E-01 1.0000000
D 1
1 0.400000E+00 1.0000000
D 1
1 0.441900E-01 1.0000000
SILICON
S 8
1 0.412629E+05 0.694612E-03
2 0.618962E+04 0.534529E-02
3 0.140869E+04 0.275531E-01
4 0.398772E+03 0.105225E+00
5 0.129686E+03 0.299024E+00
6 0.464249E+02 0.500000E+00
7 0.174546E+02 0.342381E+00
8 0.422221E+01 0.330232E-01
S 8
1 0.618962E+04 -0.188331E-04
2 0.140869E+04 -0.331861E-04
3 0.398772E+03 -0.153447E-02
4 0.129686E+03 -0.795733E-02
5 0.464249E+02 -0.523953E-01
6 0.174546E+02 -0.676258E-01
7 0.422221E+01 0.427017E+00
8 0.149332E+01 0.500000E+00
S 8
1 0.140869E+04 -0.536840E-05
2 0.398772E+03 -0.615493E-04
3 0.129686E+03 -0.621623E-03
4 0.464249E+02 -0.267954E-02
5 0.174546E+02 -0.397874E-02
6 0.422221E+01 0.603569E-03
7 0.149332E+01 -0.117083E+00
8 0.271735E+00 0.500000E+00
S 1
1 0.985023E-01 1.0000000
S 1
1 0.332930E-01 1.0000000
P 6
1 0.201973E+04 0.186366E-03
2 0.310728E+03 0.372765E-02
3 0.728229E+02 0.300024E-01
4 0.229850E+02 0.125215E+00
5 0.832134E+01 0.329009E+00
6 0.313533E+01 0.500000E+00
P 6
1 0.310728E+03 -0.229154E-03
2 0.728229E+02 -0.106932E-02
3 0.229850E+02 -0.188831E-01
4 0.832134E+01 -0.661961E-01
5 0.313533E+01 -0.189624E+00
6 0.116925E+01 0.500000E+00
P 1
1 0.292809E+00 1.0000000
P 1
1 0.827039E-01 1.0000000
P 1
1 0.221110E-01 1.0000000
D 1
1 0.450000E+00 1.0000000
D 1
1 0.663320E-01 1.0000000
PHOSPHORUS
S 8
1 0.480730E+05 0.684093E-03
2 0.721140E+04 0.526538E-02
3 0.164172E+04 0.271268E-01
4 0.464916E+03 0.103801E+00
5 0.151278E+03 0.295972E+00
6 0.541891E+02 0.500000E+00
7 0.203971E+02 0.348522E+00
8 0.502411E+01 0.352756E-01
S 8
1 0.721140E+04 -0.173260E-04
2 0.164172E+04 -0.357861E-04
3 0.464916E+03 -0.147590E-02
4 0.151278E+03 -0.797687E-02
5 0.541891E+02 -0.520314E-01
6 0.203971E+02 -0.701704E-01
7 0.502411E+01 0.418273E+00
8 0.182458E+01 0.500000E+00
S 8
1 0.164172E+04 -0.568140E-05
2 0.464916E+03 -0.653361E-04
3 0.151278E+03 -0.658936E-03
4 0.541891E+02 -0.288161E-02
5 0.203971E+02 -0.424681E-02
6 0.502411E+01 -0.129894E-02
7 0.182458E+01 -0.120916E+00
8 0.358715E+00 0.500000E+00
S 1
1 0.128871E+00 1.0000000
S 1
1 0.431940E-01 1.0000000
P 6
1 0.238057E+04 0.188030E-03
2 0.366241E+03 0.376049E-02
3 0.859311E+02 0.303697E-01
4 0.271723E+02 0.127825E+00
5 0.986848E+01 0.335212E+00
6 0.375331E+01 0.500000E+00
P 6
1 0.366241E+03 -0.240954E-03
2 0.859311E+02 -0.102568E-02
3 0.271723E+02 -0.187726E-01
4 0.986848E+01 -0.631192E-01
5 0.375331E+01 -0.178343E+00
6 0.143023E+01 0.500000E+00
P 1
1 0.386531E+00 1.0000000
P 1
1 0.111456E+00 1.0000000
P 1
1 0.303860E-01 1.0000000
D 1
1 0.500000E+00 1.0000000
D 1
1 0.911570E-01 1.0000000
SULFUR
S 8
1 0.555097E+05 0.673385E-03
2 0.832671E+04 0.518498E-02
3 0.189556E+04 0.267147E-01
4 0.536770E+03 0.102465E+00
5 0.174667E+03 0.293209E+00
6 0.625780E+02 0.500000E+00
7 0.235734E+02 0.353893E+00
8 0.589085E+01 0.372830E-01
S 8
1 0.832671E+04 -0.162161E-04
2 0.189556E+04 -0.374974E-04
3 0.536770E+03 -0.143177E-02
4 0.174667E+03 -0.798766E-02
5 0.625780E+02 -0.518903E-01
6 0.235734E+02 -0.723853E-01
7 0.589085E+01 0.412524E+00
8 0.218520E+01 0.500000E+00
S 8
1 0.189556E+04 0.583760E-05
2 0.536770E+03 0.673852E-04
3 0.174667E+03 0.679675E-03
4 0.625780E+02 0.301239E-02
5 0.235734E+02 0.442839E-02
6 0.589085E+01 0.276483E-02
7 0.218520E+01 0.121778E+00
8 0.452816E+00 -0.500000E+00
S 1
1 0.162020E+00 1.0000000
S 1
1 0.541000E-01 1.0000000
P 6
1 0.257040E+04 0.227800E-03
2 0.395447E+03 0.451469E-02
3 0.928338E+02 0.362495E-01
4 0.292662E+02 0.149408E+00
5 0.105954E+02 0.376002E+00
6 0.402722E+01 0.500000E+00
P 6
1 0.395447E+03 0.231744E-03
2 0.928338E+02 0.885100E-03
3 0.292662E+02 0.169052E-01
4 0.105954E+02 0.484915E-01
5 0.402722E+01 0.133046E+00
6 0.154838E+01 -0.500000E+00
P 1
1 0.461340E+00 1.0000000
P 1
1 0.131315E+00 1.0000000
P 1
1 0.353640E-01 1.0000000
D 1
1 0.550000E+00 1.0000000
D 1
1 0.106090E+00 1.0000000
CHLORINE
S 8
1 0.634743E+05 0.664300E-03
2 0.952127E+04 0.511679E-02
3 0.216744E+04 0.263643E-01
4 0.613738E+03 0.101327E+00
5 0.199718E+03 0.290853E+00
6 0.715637E+02 0.500000E+00
7 0.269793E+02 0.358563E+00
8 0.682604E+01 0.390827E-01
S 8
1 0.952127E+04 -0.153404E-04
2 0.216744E+04 -0.388139E-04
3 0.613738E+03 -0.139674E-02
4 0.199718E+03 -0.799525E-02
5 0.715637E+02 -0.518248E-01
6 0.269793E+02 -0.742880E-01
7 0.682604E+01 0.407997E+00
8 0.257668E+01 0.500000E+00
S 8
1 0.216744E+04 0.566090E-05
2 0.613738E+03 0.654919E-04
3 0.199718E+03 0.660287E-03
4 0.715637E+02 0.294154E-02
5 0.269793E+02 0.423783E-02
6 0.682604E+01 0.591891E-02
7 0.257668E+01 0.125057E+00
8 0.557522E+00 -0.500000E+00
S 1
1 0.198250E+00 1.0000000
S 1
1 0.658160E-01 1.0000000
P 6
1 0.268530E+04 0.289497E-03
2 0.413123E+03 0.567550E-02
3 0.970540E+02 0.451214E-01
4 0.304820E+02 0.181227E+00
5 0.109615E+02 0.436831E+00
6 0.412757E+01 0.500000E+00
P 6
1 0.413123E+03 0.189186E-03
2 0.970540E+02 0.746624E-03
3 0.304820E+02 0.140570E-01
4 0.109615E+02 0.384684E-01
5 0.412757E+01 0.791300E-01
6 0.153377E+01 -0.500000E+00
P 1
1 0.514394E+00 1.0000000
P 1
1 0.150255E+00 1.0000000
P 1
1 0.414670E-01 1.0000000
D 1
1 0.600000E+00 1.0000000
D 1
1 0.124400E+00 1.0000000
ARGON
S 8
1 0.719562E+05 0.656624E-03
2 0.107935E+05 0.505905E-02
3 0.245703E+04 0.260671E-01
4 0.695721E+03 0.100360E+00
5 0.226402E+03 0.288850E+00
6 0.811377E+02 0.500000E+00
7 0.306123E+02 0.362619E+00
8 0.782906E+01 0.406866E-01
S 8
1 0.107935E+05 0.146944E-04
2 0.245703E+04 0.397246E-04
3 0.695721E+03 0.137041E-02
4 0.226402E+03 0.799781E-02
5 0.811377E+02 0.518295E-01
6 0.306123E+02 0.758945E-01
7 0.782906E+01 -0.404291E+00
8 0.299872E+01 -0.500000E+00
S 8
1 0.245703E+04 0.519450E-05
2 0.695721E+03 0.600275E-04
3 0.226402E+03 0.604697E-03
4 0.811377E+02 0.268189E-02
5 0.306123E+02 0.369172E-02
6 0.782906E+01 0.105398E-01
7 0.299872E+01 0.130059E+00
8 0.672415E+00 -0.500000E+00
S 1
1 0.237193E+00 1.0000000
S 1
1 0.781500E-01 1.0000000
P 6
1 0.290078E+04 0.331769E-03
2 0.446274E+03 0.647069E-02
3 0.104937E+03 0.511522E-01
4 0.329315E+02 0.203248E+00
5 0.118087E+02 0.477942E+00
6 0.443044E+01 0.500000E+00
P 6
1 0.446274E+03 0.144476E-03
2 0.104937E+03 0.640774E-03
3 0.329315E+02 0.115300E-01
4 0.118087E+02 0.330422E-01
5 0.443044E+01 0.458728E-01
6 0.157514E+01 -0.500000E+00
P 1
1 0.564124E+00 1.0000000
P 1
1 0.170147E+00 1.0000000
P 1
1 0.483900E-01 1.0000000
D 1
1 0.650000E+00 1.0000000
D 1
1 0.145200E+00 1.0000000

397
basis/aug-pcj-0 Normal file
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@ -0,0 +1,397 @@
HYDROGEN
S 3
1 0.135775E+04 0.662212E-03
2 0.543100E+02 0.301327E-01
3 0.434480E+01 0.500000E+00
S 1
1 0.660491E+00 1.0000000
S 1
1 0.136687E+00 1.0000000
S 1
1 0.27174E-01 1.0000000
HELIUM
S 3
1 0.412812E+04 0.691634E-03
2 0.165125E+03 0.312785E-01
3 0.132100E+02 0.500000E+00
S 1
1 0.194344E+01 1.0000000
S 1
1 0.354434E+00 1.0000000
S 1
1 0.62370E-01 1.0000000
BORON
S 4
1 0.949153E+05 0.895474E-04
2 0.379661E+04 0.406499E-02
3 0.303729E+03 0.701581E-01
4 0.458945E+02 0.500000E+00
S 1
1 0.102055E+02 1.0000000
S 1
1 0.263484E+01 1.0000000
S 1
1 0.193796E+00 1.0000000
S 1
1 0.45600E-01 1.0000000
P 2
1 0.181374E+02 0.437247E-01
2 0.279036E+01 0.500000E+00
P 1
1 0.541947E+00 1.0000000
P 1
1 0.118759E+00 1.0000000
P 1
1 0.24940E-01 1.0000000
CARBON
S 4
1 0.139534E+06 0.897831E-04
2 0.558136E+04 0.404024E-02
3 0.446509E+03 0.697449E-01
4 0.674620E+02 0.500000E+00
S 1
1 0.150674E+02 1.0000000
S 1
1 0.393876E+01 1.0000000
S 1
1 0.299915E+00 1.0000000
S 1
1 0.69748E-01 1.0000000
P 2
1 0.283900E+02 0.422513E-01
2 0.436769E+01 0.500000E+00
P 1
1 0.869817E+00 1.0000000
P 1
1 0.188934E+00 1.0000000
P 1
1 0.39361E-01 1.0000000
NITROGEN
S 4
1 0.192453E+06 0.893681E-04
2 0.769812E+04 0.402418E-02
3 0.615850E+03 0.694684E-01
4 0.930439E+02 0.500000E+00
S 1
1 0.208479E+02 1.0000000
S 1
1 0.549589E+01 1.0000000
S 1
1 0.426240E+00 1.0000000
S 1
1 0.97986E-01 1.0000000
P 2
1 0.407418E+02 0.413624E-01
2 0.626797E+01 0.500000E+00
P 1
1 0.126901E+01 1.0000000
P 1
1 0.273903E+00 1.0000000
P 1
1 0.56709E-01 1.0000000
OXYGEN
S 4
1 0.253789E+06 0.889629E-04
2 0.101516E+05 0.401214E-02
3 0.812125E+03 0.692649E-01
4 0.122693E+03 0.500000E+00
S 1
1 0.275608E+02 1.0000000
S 1
1 0.731726E+01 1.0000000
S 1
1 0.579240E+00 1.0000000
S 1
1 0.13165E+00 1.0000000
P 2
1 0.534157E+02 0.410416E-01
2 0.821779E+01 0.500000E+00
P 1
1 0.167544E+01 1.0000000
P 1
1 0.350672E+00 1.0000000
P 1
1 0.70416E-01 1.0000000
FLUORINE
S 4
1 0.323467E+06 0.887582E-04
2 0.129387E+05 0.400349E-02
3 0.103509E+04 0.691137E-01
4 0.156377E+03 0.500000E+00
S 1
1 0.351961E+02 1.0000000
S 1
1 0.939211E+01 1.0000000
S 1
1 0.753418E+00 1.0000000
S 1
1 0.16931E+00 1.0000000
P 2
1 0.688964E+02 0.406431E-01
2 0.105994E+02 0.500000E+00
P 1
1 0.217334E+01 1.0000000
P 1
1 0.448707E+00 1.0000000
P 1
1 0.89029E-01 1.0000000
NEON
S 4
1 0.401394E+06 0.886049E-04
2 0.160557E+05 0.399685E-02
3 0.128446E+04 0.689968E-01
4 0.194051E+03 0.500000E+00
S 1
1 0.437457E+02 1.0000000
S 1
1 0.117195E+02 1.0000000
S 1
1 0.947459E+00 1.0000000
S 1
1 0.21050E+00 1.0000000
P 2
1 0.867619E+02 0.402974E-01
2 0.133480E+02 0.500000E+00
P 1
1 0.275089E+01 1.0000000
P 1
1 0.564341E+00 1.0000000
P 1
1 0.11120E+00 1.0000000
ALUMINUM
S 6
1 0.205847E+07 0.673179E-05
2 0.823389E+05 0.302836E-03
3 0.658711E+04 0.532919E-02
4 0.990919E+03 0.417754E-01
5 0.225287E+03 0.188097E+00
6 0.628659E+02 0.500000E+00
S 7
1 0.205847E+07 0.347638E-05
2 0.823389E+05 0.157463E-03
3 0.658711E+04 0.274887E-02
4 0.990919E+03 0.222165E-01
5 0.225287E+03 0.103317E+00
6 0.628659E+02 0.343078E+00
7 0.194320E+02 0.500000E+00
S 1
1 0.362074E+01 1.0000000
S 1
1 0.122881E+01 1.0000000
S 1
1 0.120680E+00 1.0000000
S 1
1 0.28980E-01 1.0000000
P 3
1 0.470372E+03 0.498187E-02
2 0.723649E+02 0.833220E-01
3 0.165426E+02 0.500000E+00
P 2
1 0.482391E+01 0.500000E+00
2 0.143358E+01 0.458919E+00
P 1
1 0.276885E+00 1.0000000
P 1
1 0.698563E-01 1.0000000
P 1
1 0.16780E-01 1.0000000
SILICON
S 6
1 0.241969E+07 0.667155E-05
2 0.967877E+05 0.300129E-03
3 0.774301E+04 0.528194E-02
4 0.116473E+04 0.414336E-01
5 0.264821E+03 0.187015E+00
6 0.739675E+02 0.500000E+00
S 7
1 0.241969E+07 0.339561E-05
2 0.967877E+05 0.153752E-03
3 0.774301E+04 0.268532E-02
4 0.116473E+04 0.217054E-01
5 0.264821E+03 0.101287E+00
6 0.739675E+02 0.337589E+00
7 0.229125E+02 0.500000E+00
S 1
1 0.437414E+01 1.0000000
S 1
1 0.153907E+01 1.0000000
S 1
1 0.167749E+00 1.0000000
S 1
1 0.42730E-01 1.0000000
P 3
1 0.624520E+03 0.468394E-02
2 0.960800E+02 0.800629E-01
3 0.221500E+02 0.500000E+00
P 2
1 0.656300E+01 0.457523E+00
2 0.202500E+01 0.500000E+00
P 1
1 0.477800E+00 1.0000000
P 1
1 0.128240E+00 1.0000000
P 1
1 0.32666E-01 1.0000000
PHOSPHORUS
S 6
1 0.280963E+07 0.662016E-05
2 0.112385E+06 0.297792E-03
3 0.899080E+04 0.524165E-02
4 0.135236E+04 0.411387E-01
5 0.307498E+03 0.186102E+00
6 0.859408E+02 0.500000E+00
S 7
1 0.280963E+07 0.333087E-05
2 0.112385E+06 0.150794E-03
3 0.899080E+04 0.263469E-02
4 0.135236E+04 0.212973E-01
5 0.307498E+03 0.996746E-01
6 0.859408E+02 0.333446E+00
7 0.266714E+02 0.500000E+00
S 1
1 0.518810E+01 1.0000000
S 1
1 0.187780E+01 1.0000000
S 1
1 0.220100E+00 1.0000000
S 1
1 0.56069E-01 1.0000000
P 3
1 0.725670E+03 0.464506E-02
2 0.111642E+03 0.797233E-01
3 0.257839E+02 0.500000E+00
P 2
1 0.767250E+01 0.500000E+00
2 0.239958E+01 0.490193E+00
P 1
1 0.549434E+00 1.0000000
P 1
1 0.147479E+00 1.0000000
P 1
1 0.37569E-01 1.0000000
SULFUR
S 6
1 0.322806E+07 0.657749E-05
2 0.129122E+06 0.295881E-03
3 0.103298E+05 0.520846E-02
4 0.155372E+04 0.408944E-01
5 0.353302E+03 0.185345E+00
6 0.988050E+02 0.500000E+00
S 7
1 0.322806E+07 0.327819E-05
2 0.129122E+06 0.148404E-03
3 0.103298E+05 0.259357E-02
4 0.155372E+04 0.209689E-01
5 0.353302E+03 0.983499E-01
6 0.988050E+02 0.330197E+00
7 0.307160E+02 0.500000E+00
S 1
1 0.606325E+01 1.0000000
S 1
1 0.224749E+01 1.0000000
S 1
1 0.278535E+00 1.0000000
S 1
1 0.70749E-01 1.0000000
P 3
1 0.843459E+03 0.458827E-02
2 0.129763E+03 0.790930E-01
3 0.300246E+02 0.500000E+00
P 2
1 0.897333E+01 0.500000E+00
2 0.284402E+01 0.427041E+00
P 1
1 0.633607E+00 1.0000000
P 1
1 0.169552E+00 1.0000000
P 1
1 0.43067E-01 1.0000000
CHLORINE
S 6
1 0.367469E+07 0.654179E-05
2 0.146988E+06 0.294279E-03
3 0.117590E+05 0.518068E-02
4 0.176863E+04 0.406916E-01
5 0.402188E+03 0.184727E+00
6 0.112540E+03 0.500000E+00
S 7
1 0.367469E+07 0.323553E-05
2 0.146988E+06 0.146473E-03
3 0.117590E+05 0.256000E-02
4 0.176863E+04 0.207066E-01
5 0.402188E+03 0.972751E-01
6 0.112540E+03 0.327695E+00
7 0.350390E+02 0.500000E+00
S 1
1 0.699558E+01 1.0000000
S 1
1 0.264547E+01 1.0000000
S 1
1 0.341568E+00 1.0000000
S 1
1 0.86577E-01 1.0000000
P 3
1 0.979321E+03 0.452274E-02
2 0.150665E+03 0.783425E-01
3 0.349330E+02 0.500000E+00
P 2
1 0.104915E+02 0.500000E+00
2 0.337258E+01 0.400799E+00
P 1
1 0.759889E+00 1.0000000
P 1
1 0.202894E+00 1.0000000
P 1
1 0.51427E-01 1.0000000
ARGON
S 6
1 0.414912E+07 0.651250E-05
2 0.165965E+06 0.292914E-03
3 0.132772E+05 0.515730E-02
4 0.199692E+04 0.405205E-01
5 0.454119E+03 0.184199E+00
6 0.127136E+03 0.500000E+00
S 7
1 0.414912E+07 0.320116E-05
2 0.165965E+06 0.144906E-03
3 0.132772E+05 0.253251E-02
4 0.199692E+04 0.204930E-01
5 0.454119E+03 0.963934E-01
6 0.127136E+03 0.325778E+00
7 0.396371E+02 0.500000E+00
S 1
1 0.798167E+01 1.0000000
S 1
1 0.307062E+01 1.0000000
S 1
1 0.409083E+00 1.0000000
S 1
1 0.10390E+00 1.0000000
P 3
1 0.112602E+04 0.446529E-02
2 0.173234E+03 0.776707E-01
3 0.402385E+02 0.500000E+00
P 2
1 0.121389E+02 0.500000E+00
2 0.395271E+01 0.385197E+00
P 1
1 0.906259E+00 1.0000000
P 1
1 0.242517E+00 1.0000000
P 1
1 0.61600E-01 1.0000000

391
basis/aug-pcj-0_2006 Normal file
View File

@ -0,0 +1,391 @@
HYDROGEN
S 3
1 0.135775E+04 0.662272E-03
2 0.543100E+02 0.301414E-01
3 0.434480E+01 0.500000E+00
S 1
1 0.660491E+00 1.0000000
S 1
1 0.136687E+00 1.0000000
S 1
1 0.271740E-01 1.0000000
HELIUM
S 3
1 0.412812E+04 0.691643E-03
2 0.165125E+03 0.312799E-01
3 0.132100E+02 0.500000E+00
S 1
1 0.194344E+01 1.0000000
S 1
1 0.354434E+00 1.0000000
S 1
1 0.623700E-01 1.0000000
BORON
S 4
1 0.949153E+05 0.901807E-04
2 0.379661E+04 0.406466E-02
3 0.303729E+03 0.701586E-01
4 0.458945E+02 0.500000E+00
S 1
1 0.102055E+02 1.0000000
S 1
1 0.263484E+01 1.0000000
S 1
1 0.193796E+00 1.0000000
S 1
1 0.456000E-01 1.0000000
P 2
1 0.181374E+02 0.437380E-01
2 0.279036E+01 0.500000E+00
P 1
1 0.541947E+00 1.0000000
P 1
1 0.118759E+00 1.0000000
P 1
1 0.249400E-01 1.0000000
CARBON
S 4
1 0.139534E+06 0.896135E-04
2 0.558136E+04 0.404014E-02
3 0.446509E+03 0.697444E-01
4 0.674620E+02 0.500000E+00
S 1
1 0.150674E+02 1.0000000
S 1
1 0.393876E+01 1.0000000
S 1
1 0.299915E+00 1.0000000
S 1
1 0.697480E-01 1.0000000
P 2
1 0.283900E+02 0.422609E-01
2 0.436769E+01 0.500000E+00
P 1
1 0.869817E+00 1.0000000
P 1
1 0.188934E+00 1.0000000
P 1
1 0.393610E-01 1.0000000
NITROGEN
S 4
1 0.192453E+06 0.892391E-04
2 0.769812E+04 0.402406E-02
3 0.615850E+03 0.694692E-01
4 0.930439E+02 0.500000E+00
S 1
1 0.208479E+02 1.0000000
S 1
1 0.549589E+01 1.0000000
S 1
1 0.426240E+00 1.0000000
S 1
1 0.979860E-01 1.0000000
P 2
1 0.407418E+02 0.413737E-01
2 0.626797E+01 0.500000E+00
P 1
1 0.126901E+01 1.0000000
P 1
1 0.273903E+00 1.0000000
P 1
1 0.567090E-01 1.0000000
OXYGEN
S 4
1 0.253789E+06 0.889624E-04
2 0.101516E+05 0.401221E-02
3 0.812125E+03 0.692649E-01
4 0.122693E+03 0.500000E+00
S 1
1 0.275608E+02 1.0000000
S 1
1 0.731726E+01 1.0000000
S 1
1 0.579240E+00 1.0000000
S 1
1 0.131650E+00 1.0000000
P 2
1 0.534157E+02 0.410447E-01
2 0.821779E+01 0.500000E+00
P 1
1 0.167544E+01 1.0000000
P 1
1 0.350672E+00 1.0000000
P 1
1 0.704160E-01 1.0000000
FLUORINE
S 4
1 0.323467E+06 0.887559E-04
2 0.129387E+05 0.400340E-02
3 0.103509E+04 0.691120E-01
4 0.156377E+03 0.500000E+00
S 1
1 0.351961E+02 1.0000000
S 1
1 0.939211E+01 1.0000000
S 1
1 0.753418E+00 1.0000000
S 1
1 0.169310E+00 1.0000000
P 2
1 0.688964E+02 0.406446E-01
2 0.105994E+02 0.500000E+00
P 1
1 0.217334E+01 1.0000000
P 1
1 0.448707E+00 1.0000000
P 1
1 0.890290E-01 1.0000000
NEON
S 4
1 0.401394E+06 0.886012E-04
2 0.160557E+05 0.399682E-02
3 0.128446E+04 0.689966E-01
4 0.194051E+03 0.500000E+00
S 1
1 0.437457E+02 1.0000000
S 1
1 0.117195E+02 1.0000000
S 1
1 0.947459E+00 1.0000000
S 1
1 0.210500E+00 1.0000000
P 2
1 0.867619E+02 0.402987E-01
2 0.133480E+02 0.500000E+00
P 1
1 0.275089E+01 1.0000000
P 1
1 0.564341E+00 1.0000000
P 1
1 0.111200E+00 1.0000000
ALUMINUM
S 6
1 0.205847E+07 0.107743E-04
2 0.823389E+05 0.480939E-03
3 0.658711E+04 0.854161E-02
4 0.990919E+03 0.645919E-01
5 0.225287E+03 0.279183E+00
6 0.628659E+02 0.500000E+00
S 6
1 0.823389E+05 0.225910E-05
2 0.658711E+04 -0.765230E-05
3 0.990919E+03 0.137207E-02
4 0.225287E+03 0.132223E-01
5 0.628659E+02 0.181722E+00
6 0.194320E+02 0.500000E+00
S 1
1 0.362074E+01 1.0000000
S 1
1 0.122881E+01 1.0000000
S 1
1 0.120680E+00 1.0000000
S 1
1 0.289800E-01 1.0000000
P 4
1 0.470372E+03 0.200190E-02
2 0.723649E+02 0.334877E-01
3 0.165426E+02 0.200927E+00
4 0.482391E+01 0.500000E+00
P 1
1 0.143358E+01 1.0000000
P 1
1 0.276885E+00 1.0000000
P 1
1 0.698563E-01 1.0000000
P 1
1 0.167800E-01 1.0000000
SILICON
S 6
1 0.241969E+07 0.106115E-04
2 0.967877E+05 0.473830E-03
3 0.774301E+04 0.841185E-02
4 0.116473E+04 0.637158E-01
5 0.264821E+03 0.275783E+00
6 0.739675E+02 0.500000E+00
S 6
1 0.967877E+05 0.211590E-05
2 0.774301E+04 -0.656670E-05
3 0.116473E+04 0.131430E-02
4 0.264821E+03 0.130302E-01
5 0.739675E+02 0.177575E+00
6 0.229125E+02 0.500000E+00
S 1
1 0.437414E+01 1.0000000
S 1
1 0.153907E+01 1.0000000
S 1
1 0.167749E+00 1.0000000
S 1
1 0.427300E-01 1.0000000
P 4
1 0.624520E+03 0.175676E-02
2 0.960800E+02 0.300305E-01
3 0.221500E+02 0.187537E+00
4 0.656300E+01 0.500000E+00
P 1
1 0.202500E+01 1.0000000
P 1
1 0.477800E+00 1.0000000
P 1
1 0.128240E+00 1.0000000
P 1
1 0.326660E-01 1.0000000
PHOSPHORUS
S 6
1 0.280963E+07 0.104905E-04
2 0.112385E+06 0.468505E-03
3 0.899080E+04 0.831582E-02
4 0.135236E+04 0.630556E-01
5 0.307498E+03 0.273367E+00
6 0.859408E+02 0.500000E+00
S 6
1 0.112385E+06 -0.202240E-05
2 0.899080E+04 0.589970E-05
3 0.135236E+04 -0.127411E-02
4 0.307498E+03 -0.128669E-01
5 0.859408E+02 -0.174671E+00
6 0.266714E+02 -0.500000E+00
S 1
1 0.518810E+01 1.0000000
S 1
1 0.187780E+01 1.0000000
S 1
1 0.220100E+00 1.0000000
S 1
1 0.560690E-01 1.0000000
P 4
1 0.725670E+03 0.175004E-02
2 0.111642E+03 0.300354E-01
3 0.257839E+02 0.188374E+00
4 0.767250E+01 0.500000E+00
P 1
1 0.239958E+01 1.0000000
P 1
1 0.549434E+00 1.0000000
P 1
1 0.147479E+00 1.0000000
P 1
1 0.375690E-01 1.0000000
SULFUR
S 6
1 0.322806E+07 0.104069E-04
2 0.129122E+06 0.464806E-03
3 0.103298E+05 0.824996E-02
4 0.155372E+04 0.625968E-01
5 0.353302E+03 0.271808E+00
6 0.988050E+02 0.500000E+00
S 6
1 0.129122E+06 0.196660E-05
2 0.103298E+05 -0.568000E-05
3 0.155372E+04 0.124804E-02
4 0.353302E+03 0.127159E-01
5 0.988050E+02 0.172666E+00
6 0.307160E+02 0.500000E+00
S 1
1 0.606325E+01 1.0000000
S 1
1 0.224749E+01 1.0000000
S 1
1 0.278535E+00 1.0000000
S 1
1 0.707490E-01 1.0000000
P 4
1 0.843459E+03 0.172554E-02
2 0.129763E+03 0.297469E-01
3 0.300246E+02 0.188043E+00
4 0.897333E+01 0.500000E+00
P 1
1 0.284402E+01 1.0000000
P 1
1 0.633607E+00 1.0000000
P 1
1 0.169552E+00 1.0000000
P 1
1 0.430670E-01 1.0000000
CHLORINE
S 6
1 0.367469E+07 0.103491E-04
2 0.146988E+06 0.462223E-03
3 0.117590E+05 0.820493E-02
4 0.176863E+04 0.622773E-01
5 0.402188E+03 0.270847E+00
6 0.112540E+03 0.500000E+00
S 6
1 0.146988E+06 0.193780E-05
2 0.117590E+05 -0.571310E-05
3 0.176863E+04 0.123196E-02
4 0.402188E+03 0.125818E-01
5 0.112540E+03 0.171338E+00
6 0.350390E+02 0.500000E+00
S 1
1 0.699558E+01 1.0000000
S 1
1 0.264547E+01 1.0000000
S 1
1 0.341568E+00 1.0000000
S 1
1 0.865770E-01 1.0000000
P 4
1 0.979321E+03 0.169008E-02
2 0.150665E+03 0.292766E-01
3 0.349330E+02 0.186847E+00
4 0.104915E+02 0.500000E+00
P 1
1 0.337258E+01 1.0000000
P 1
1 0.759889E+00 1.0000000
P 1
1 0.202894E+00 1.0000000
P 1
1 0.514270E-01 1.0000000
ARGON
S 6
1 0.414912E+07 0.103145E-04
2 0.165965E+06 0.460572E-03
3 0.132772E+05 0.817725E-02
4 0.199692E+04 0.620730E-01
5 0.454119E+03 0.270380E+00
6 0.127136E+03 0.500000E+00
S 6
1 0.165965E+06 0.196830E-05
2 0.132772E+05 -0.528390E-05
3 0.199692E+04 0.122908E-02
4 0.454119E+03 0.124839E-01
5 0.127136E+03 0.170609E+00
6 0.396371E+02 0.500000E+00
S 1
1 0.798167E+01 1.0000000
S 1
1 0.307062E+01 1.0000000
S 1
1 0.409083E+00 1.0000000
S 1
1 0.103900E+00 1.0000000
P 4
1 0.112602E+04 0.165962E-02
2 0.173234E+03 0.288673E-01
3 0.402385E+02 0.185835E+00
4 0.121389E+02 0.500000E+00
P 1
1 0.395271E+01 1.0000000
P 1
1 0.906259E+00 1.0000000
P 1
1 0.242517E+00 1.0000000
P 1
1 0.616000E-01 1.0000000

569
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HYDROGEN
S 2
1 0.382870E+04 0.110942E-01
2 0.153148E+03 0.500000E+00
S 2
1 0.122519E+02 0.704473E-01
2 0.186872E+01 0.500000E+00
S 1
1 0.418210E+00 1.0000000
S 1
1 0.106100E+00 1.0000000
S 1
1 0.25628E-01 1.0000000
P 1
1 0.9000000000E+01 1.0000000
P 1
1 0.1000000000E+01 1.0000000
P 1
1 0.76884E-01 1.0000000
HELIUM
S 2
1 0.115204E+05 0.111001E-01
2 0.460816E+03 0.500000E+00
S 2
1 0.368653E+02 0.752027E-01
2 0.558019E+01 0.500000E+00
S 1
1 0.119170E+01 1.0000000
S 1
1 0.268924E+00 1.0000000
S 1
1 0.58070E-01 1.0000000
P 1
1 0.1305000000E+02 1.0000000
P 1
1 0.1450000000E+01 1.0000000
P 1
1 0.17420E+00 1.0000000
BORON
S 4
1 0.263742E+06 0.813400E-04
2 0.105497E+05 0.366127E-02
3 0.843975E+03 0.642936E-01
4 0.127077E+03 0.500000E+00
S 2
1 0.288624E+02 0.199641E+00
2 0.792974E+01 0.500000E+00
S 1
1 0.236371E+01 1.0000000
S 1
1 0.346703E+00 1.0000000
S 1
1 0.105954E+00 1.0000000
S 1
1 0.30520E-01 1.0000000
P 2
1 0.377831E+02 0.352823E-01
2 0.581278E+01 0.500000E+00
P 1
1 0.120024E+01 1.0000000
P 1
1 0.326860E+00 1.0000000
P 1
1 0.862643E-01 1.0000000
P 1
1 0.21630E-01 1.0000000
D 1
1 0.1400000000E+02 1.0000000
D 1
1 0.7000000000E+00 1.0000000
D 1
1 0.64880E-01 1.0000000
CARBON
S 4
1 0.391451E+06 0.811630E-04
2 0.156580E+05 0.365259E-02
3 0.125264E+04 0.641773E-01
4 0.188566E+03 0.500000E+00
S 2
1 0.428391E+02 0.197197E+00
2 0.118181E+02 0.500000E+00
S 1
1 0.355674E+01 1.0000000
S 1
1 0.542575E+00 1.0000000
S 1
1 0.160585E+00 1.0000000
S 1
1 0.44856E-01 1.0000000
P 2
1 0.594271E+02 0.341178E-01
2 0.914263E+01 0.500000E+00
P 1
1 0.192985E+01 1.0000000
P 1
1 0.525223E+00 1.0000000
P 1
1 0.136083E+00 1.0000000
P 1
1 0.33518E-01 1.0000000
D 1
1 0.1600000000E+02 1.0000000
D 1
1 0.8000000000E+00 1.0000000
D 1
1 0.10055E+00 1.0000000
NITROGEN
S 4
1 0.544422E+06 0.810423E-04
2 0.217769E+05 0.364660E-02
3 0.174215E+04 0.640976E-01
4 0.262213E+03 0.500000E+00
S 2
1 0.595848E+02 0.195519E+00
2 0.164888E+02 0.500000E+00
S 1
1 0.499450E+01 1.0000000
S 1
1 0.786729E+00 1.0000000
S 1
1 0.228369E+00 1.0000000
S 1
1 0.62739E-01 1.0000000
P 2
1 0.853554E+02 0.334788E-01
2 0.131316E+02 0.500000E+00
P 1
1 0.281081E+01 1.0000000
P 1
1 0.763512E+00 1.0000000
P 1
1 0.195601E+00 1.0000000
P 1
1 0.47707E-01 1.0000000
D 1
1 0.1800000000E+02 1.0000000
D 1
1 0.9000000000E+00 1.0000000
D 1
1 0.14312E+00 1.0000000
OXYGEN
S 4
1 0.720859E+06 0.809643E-04
2 0.288343E+05 0.364263E-02
3 0.230675E+04 0.640470E-01
4 0.347150E+03 0.500000E+00
S 2
1 0.788896E+02 0.194581E+00
2 0.218763E+02 0.500000E+00
S 1
1 0.666456E+01 1.0000000
S 1
1 0.106692E+01 1.0000000
S 1
1 0.307004E+00 1.0000000
S 1
1 0.83425E-01 1.0000000
P 2
1 0.110642E+03 0.332809E-01
2 0.170219E+02 0.500000E+00
P 1
1 0.368382E+01 1.0000000
P 1
1 0.992342E+00 1.0000000
P 1
1 0.244868E+00 1.0000000
P 1
1 0.57616E-01 1.0000000
D 1
1 0.2000000000E+02 1.0000000
D 1
1 0.1000000000E+01 1.0000000
D 1
1 0.17285E+00 1.0000000
FLUORINE
S 4
1 0.923325E+06 0.808980E-04
2 0.369330E+05 0.363941E-02
3 0.295464E+04 0.640039E-01
4 0.444615E+03 0.500000E+00
S 2
1 0.101047E+03 0.193695E+00
2 0.280679E+02 0.500000E+00
S 1
1 0.858366E+01 1.0000000
S 1
1 0.139861E+01 1.0000000
S 1
1 0.399692E+00 1.0000000
S 1
1 0.10802E+00 1.0000000
P 2
1 0.142242E+03 0.329952E-01
2 0.218834E+02 0.500000E+00
P 1
1 0.477691E+01 1.0000000
P 1
1 0.128233E+01 1.0000000
P 1
1 0.311272E+00 1.0000000
P 1
1 0.72054E-01 1.0000000
D 1
1 0.2200000000E+02 1.0000000
D 1
1 0.1100000000E+01 1.0000000
D 1
1 0.21616E+00 1.0000000
NEON
S 4
1 0.115003E+07 0.808499E-04
2 0.460012E+05 0.363707E-02
3 0.368010E+04 0.639723E-01
4 0.553749E+03 0.500000E+00
S 2
1 0.125865E+03 0.193082E+00
2 0.350132E+02 0.500000E+00
S 1
1 0.107389E+02 1.0000000
S 1
1 0.176925E+01 1.0000000
S 1
1 0.501491E+00 1.0000000
S 1
1 0.13450E+00 1.0000000
P 2
1 0.178762E+03 0.327380E-01
2 0.275018E+02 0.500000E+00
P 1
1 0.603973E+01 1.0000000
P 1
1 0.161900E+01 1.0000000
P 1
1 0.389699E+00 1.0000000
P 1
1 0.89500E-01 1.0000000
D 1
1 0.2400000000E+02 1.0000000
D 1
1 0.1200000000E+01 1.0000000
D 1
1 0.26850E+00 1.0000000
ALUMINUM
S 8
1 0.108444E+08 0.848720E-06
2 0.433777E+06 0.381407E-04
3 0.347021E+05 0.676178E-03
4 0.520595E+04 0.547275E-02
5 0.118524E+04 0.278528E-01
6 0.335698E+03 0.106875E+00
7 0.109232E+03 0.297900E+00
8 0.391198E+02 0.500000E+00
S 9
1 0.108444E+08 0.541530E-06
2 0.433777E+06 0.245070E-04
3 0.347021E+05 0.430015E-03
4 0.520595E+04 0.354644E-02
5 0.118524E+04 0.178316E-01
6 0.335698E+03 0.732330E-01
7 0.109232E+03 0.215468E+00
8 0.391198E+02 0.500000E+00
9 0.147087E+02 0.418328E+00
S 1
1 0.348959E+01 1.0000000
S 1
1 0.119362E+01 1.0000000
S 1
1 0.195848E+00 1.0000000
S 1
1 0.714389E-01 1.0000000
S 1
1 0.24290E-01 1.0000000
P 4
1 0.165334E+04 0.800968E-03
2 0.254359E+03 0.153454E-01
3 0.595137E+02 0.122605E+00
4 0.187084E+02 0.500000E+00
P 2
1 0.673615E+01 0.317338E+00
2 0.250453E+01 0.500000E+00
P 1
1 0.908205E+00 1.0000000
P 1
1 0.209090E+00 1.0000000
P 1
1 0.569900E-01 1.0000000
P 1
1 0.14730E-01 1.0000000
D 1
1 0.7200000000E+02 1.0000000
D 1
1 0.4000000000E+00 1.0000000
D 1
1 0.44190E-01 1.0000000
SILICON
S 8
1 0.128947E+08 0.825930E-06
2 0.515787E+06 0.371106E-04
3 0.412629E+05 0.657906E-03
4 0.618962E+04 0.532723E-02
5 0.140869E+04 0.271494E-01
6 0.398772E+03 0.104558E+00
7 0.129686E+03 0.293726E+00
8 0.464249E+02 0.500000E+00
S 9
1 0.128947E+08 0.530856E-06
2 0.515787E+06 0.240091E-04
3 0.412629E+05 0.421544E-03
4 0.618962E+04 0.347473E-02
5 0.140869E+04 0.175175E-01
6 0.398772E+03 0.720322E-01
7 0.129686E+03 0.214052E+00
8 0.464249E+02 0.500000E+00
9 0.174546E+02 0.436178E+00
S 1
1 0.422221E+01 1.0000000
S 1
1 0.149332E+01 1.0000000
S 1
1 0.271735E+00 1.0000000
S 1
1 0.985023E-01 1.0000000
S 1
1 0.33293E-01 1.0000000
P 4
1 0.201973E+04 0.781200E-03
2 0.310728E+03 0.150288E-01
3 0.728229E+02 0.121019E+00
4 0.229850E+02 0.500000E+00
P 2
1 0.832134E+01 0.312899E+00
2 0.313533E+01 0.500000E+00
P 1
1 0.116925E+01 1.0000000
P 1
1 0.292809E+00 1.0000000
P 1
1 0.827039E-01 1.0000000
P 1
1 0.22111E-01 1.0000000
D 1
1 0.8100000000E+02 1.0000000
D 1
1 0.4500000000E+00 1.0000000
D 1
1 0.66332E-01 1.0000000
PHOSPHORUS
S 8
1 0.150228E+08 0.813995E-06
2 0.600913E+06 0.365700E-04
3 0.480730E+05 0.648388E-03
4 0.721140E+04 0.524965E-02
5 0.164172E+04 0.267525E-01
6 0.464916E+03 0.103167E+00
7 0.151278E+03 0.291066E+00
8 0.541891E+02 0.500000E+00
S 9
1 0.150228E+08 0.525581E-06
2 0.600913E+06 0.237597E-04
3 0.480730E+05 0.417438E-03
4 0.721140E+04 0.343755E-02
5 0.164172E+04 0.173499E-01
6 0.464916E+03 0.713037E-01
7 0.151278E+03 0.213245E+00
8 0.541891E+02 0.500000E+00
9 0.203971E+02 0.449326E+00
S 1
1 0.502411E+01 1.0000000
S 1
1 0.182458E+01 1.0000000
S 1
1 0.358715E+00 1.0000000
S 1
1 0.128871E+00 1.0000000
S 1
1 0.43194E-01 1.0000000
P 4
1 0.238057E+04 0.769737E-03
2 0.366241E+03 0.148356E-01
3 0.859311E+02 0.120065E+00
4 0.271723E+02 0.500000E+00
P 2
1 0.986848E+01 0.316836E+00
2 0.375331E+01 0.500000E+00
P 1
1 0.143023E+01 1.0000000
P 1
1 0.386531E+00 1.0000000
P 1
1 0.111456E+00 1.0000000
P 1
1 0.30386E-01 1.0000000
D 1
1 0.9000000000E+02 1.0000000
D 1
1 0.5000000000E+00 1.0000000
D 1
1 0.91157E-01 1.0000000
SULFUR
S 8
1 0.173468E+08 0.801441E-06
2 0.693872E+06 0.360177E-04
3 0.555097E+05 0.638599E-03
4 0.832671E+04 0.517117E-02
5 0.189556E+04 0.263662E-01
6 0.536770E+03 0.101856E+00
7 0.174667E+03 0.288640E+00
8 0.625780E+02 0.500000E+00
S 9
1 0.173468E+08 0.519355E-06
2 0.693872E+06 0.234799E-04
3 0.555097E+05 0.412700E-03
4 0.832671E+04 0.339696E-02
5 0.189556E+04 0.171676E-01
6 0.536770E+03 0.705815E-01
7 0.174667E+03 0.212328E+00
8 0.625780E+02 0.500000E+00
9 0.235734E+02 0.460245E+00
S 1
1 0.589085E+01 1.0000000
S 1
1 0.218520E+01 1.0000000
S 1
1 0.452816E+00 1.0000000
S 1
1 0.162020E+00 1.0000000
S 1
1 0.54100E-01 1.0000000
P 4
1 0.257040E+04 0.782817E-03
2 0.395447E+03 0.150199E-01
3 0.928338E+02 0.121081E+00
4 0.292662E+02 0.500000E+00
P 2
1 0.105954E+02 0.343567E+00
2 0.402722E+01 0.500000E+00
P 1
1 0.154838E+01 1.0000000
P 1
1 0.461340E+00 1.0000000
P 1
1 0.131315E+00 1.0000000
P 1
1 0.35364E-01 1.0000000
D 1
1 0.9900000000E+02 1.0000000
D 1
1 0.5500000000E+00 1.0000000
D 1
1 0.10609E+00 1.0000000
CHLORINE
S 8
1 0.198357E+08 0.790751E-06
2 0.793429E+06 0.355493E-04
3 0.634743E+05 0.630311E-03
4 0.952127E+04 0.510463E-02
5 0.216744E+04 0.260372E-01
6 0.613738E+03 0.100739E+00
7 0.199718E+03 0.286586E+00
8 0.715637E+02 0.500000E+00
S 9
1 0.198357E+08 0.513944E-06
2 0.793429E+06 0.232366E-04
3 0.634743E+05 0.408568E-03
4 0.952127E+04 0.336170E-02
5 0.216744E+04 0.170078E-01
6 0.613738E+03 0.699512E-01
7 0.199718E+03 0.211497E+00
8 0.715637E+02 0.500000E+00
9 0.269793E+02 0.469567E+00
S 1
1 0.682604E+01 1.0000000
S 1
1 0.257668E+01 1.0000000
S 1
1 0.557522E+00 1.0000000
S 1
1 0.198250E+00 1.0000000
S 1
1 0.65816E-01 1.0000000
P 4
1 0.268530E+04 0.806694E-03
2 0.413123E+03 0.153893E-01
3 0.970540E+02 0.122890E+00
4 0.304820E+02 0.500000E+00
P 2
1 0.109615E+02 0.402865E+00
2 0.412757E+01 0.500000E+00
P 1
1 0.153377E+01 1.0000000
P 1
1 0.514394E+00 1.0000000
P 1
1 0.150255E+00 1.0000000
P 1
1 0.41467E-01 1.0000000
D 1
1 0.1080000000E+03 1.0000000
D 1
1 0.6000000000E+00 1.0000000
D 1
1 0.12440E+00 1.0000000
ARGON
S 8
1 0.224863E+08 0.782564E-06
2 0.899453E+06 0.351512E-04
3 0.719562E+05 0.623278E-03
4 0.107935E+05 0.504819E-02
5 0.245703E+04 0.257581E-01
6 0.695721E+03 0.997886E-01
7 0.226402E+03 0.284837E+00
8 0.811377E+02 0.500000E+00
S 9
1 0.224863E+08 0.509834E-06
2 0.899453E+06 0.230282E-04
3 0.719562E+05 0.405027E-03
4 0.107935E+05 0.333134E-02
5 0.245703E+04 0.168701E-01
6 0.695721E+03 0.694072E-01
7 0.226402E+03 0.210771E+00
8 0.811377E+02 0.500000E+00
9 0.306123E+02 0.477562E+00
S 1
1 0.782906E+01 1.0000000
S 1
1 0.299872E+01 1.0000000
S 1
1 0.672415E+00 1.0000000
S 1
1 0.237193E+00 1.0000000
S 1
1 0.78150E-01 1.0000000
P 4
1 0.290078E+04 0.818987E-03
2 0.446274E+03 0.155901E-01
3 0.104937E+03 0.123817E+00
4 0.329315E+02 0.500000E+00
P 2
1 0.118087E+02 0.462258E+00
2 0.443044E+01 0.500000E+00
P 1
1 0.157514E+01 1.0000000
P 1
1 0.564124E+00 1.0000000
P 1
1 0.170147E+00 1.0000000
P 1
1 0.48390E-01 1.0000000
D 1
1 0.1170000000E+03 1.0000000
D 1
1 0.6500000000E+00 1.0000000
D 1
1 0.14520E+00 1.0000000

563
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View File

@ -0,0 +1,563 @@
HYDROGEN
S 3
1 0.382870E+04 0.636372E-03
2 0.153148E+03 0.286776E-01
3 0.122519E+02 0.500000E+00
S 1
1 0.186872E+01 1.0000000
S 1
1 0.418210E+00 1.0000000
S 1
1 0.106100E+00 1.0000000
S 1
1 0.256280E-01 1.0000000
P 1
1 0.900000E+01 1.0000000
P 1
1 0.100000E+01 1.0000000
P 1
1 0.768840E-01 1.0000000
HELIUM
S 3
1 0.115204E+05 0.647493E-03
2 0.460816E+03 0.291647E-01
3 0.368653E+02 0.500000E+00
S 1
1 0.558019E+01 1.0000000
S 1
1 0.119170E+01 1.0000000
S 1
1 0.268924E+00 1.0000000
S 1
1 0.580700E-01 1.0000000
P 1
1 0.130500E+02 1.0000000
P 1
1 0.145000E+01 1.0000000
P 1
1 0.174200E+00 1.0000000
BORON
S 5
1 0.263742E+06 0.187949E-04
2 0.105497E+05 0.846007E-03
3 0.843975E+03 0.148562E-01
4 0.127077E+03 0.115535E+00
5 0.288624E+02 0.500000E+00
S 1
1 0.792974E+01 1.0000000
S 1
1 0.236371E+01 1.0000000
S 1
1 0.346703E+00 1.0000000
S 1
1 0.105954E+00 1.0000000
S 1
1 0.305200E-01 1.0000000
P 2
1 0.377831E+02 0.352317E-01
2 0.581278E+01 0.500000E+00
P 1
1 0.120024E+01 1.0000000
P 1
1 0.326860E+00 1.0000000
P 1
1 0.862643E-01 1.0000000
P 1
1 0.216300E-01 1.0000000
D 1
1 0.140000E+02 1.0000000
D 1
1 0.700000E+00 1.0000000
D 1
1 0.648800E-01 1.0000000
CARBON
S 5
1 0.391451E+06 0.185702E-04
2 0.156580E+05 0.835713E-03
3 0.125264E+04 0.146839E-01
4 0.188566E+03 0.114401E+00
5 0.428391E+02 0.500000E+00
S 1
1 0.118181E+02 1.0000000
S 1
1 0.355674E+01 1.0000000
S 1
1 0.542575E+00 1.0000000
S 1
1 0.160585E+00 1.0000000
S 1
1 0.448560E-01 1.0000000
P 2
1 0.594271E+02 0.340633E-01
2 0.914263E+01 0.500000E+00
P 1
1 0.192985E+01 1.0000000
P 1
1 0.525223E+00 1.0000000
P 1
1 0.136083E+00 1.0000000
P 1
1 0.335180E-01 1.0000000
D 1
1 0.160000E+02 1.0000000
D 1
1 0.800000E+00 1.0000000
D 1
1 0.100550E+00 1.0000000
NITROGEN
S 5
1 0.544422E+06 0.184176E-04
2 0.217769E+05 0.828733E-03
3 0.174215E+04 0.145669E-01
4 0.262213E+03 0.113630E+00
5 0.595848E+02 0.500000E+00
S 1
1 0.164888E+02 1.0000000
S 1
1 0.499450E+01 1.0000000
S 1
1 0.786729E+00 1.0000000
S 1
1 0.228369E+00 1.0000000
S 1
1 0.627390E-01 1.0000000
P 2
1 0.853554E+02 0.334288E-01
2 0.131316E+02 0.500000E+00
P 1
1 0.281081E+01 1.0000000
P 1
1 0.763512E+00 1.0000000
P 1
1 0.195601E+00 1.0000000
P 1
1 0.477070E-01 1.0000000
D 1
1 0.180000E+02 1.0000000
D 1
1 0.900000E+00 1.0000000
D 1
1 0.143120E+00 1.0000000
OXYGEN
S 5
1 0.720859E+06 0.183098E-04
2 0.288343E+05 0.823786E-03
3 0.230675E+04 0.144842E-01
4 0.347150E+03 0.113075E+00
5 0.788896E+02 0.500000E+00
S 1
1 0.218763E+02 1.0000000
S 1
1 0.666456E+01 1.0000000
S 1
1 0.106692E+01 1.0000000
S 1
1 0.307004E+00 1.0000000
S 1
1 0.834250E-01 1.0000000
P 2
1 0.110642E+03 0.332619E-01
2 0.170219E+02 0.500000E+00
P 1
1 0.368382E+01 1.0000000
P 1
1 0.992342E+00 1.0000000
P 1
1 0.244868E+00 1.0000000
P 1
1 0.576160E-01 1.0000000
D 1
1 0.200000E+02 1.0000000
D 1
1 0.100000E+01 1.0000000
D 1
1 0.172850E+00 1.0000000
FLUORINE
S 5
1 0.923325E+06 0.182243E-04
2 0.369330E+05 0.819871E-03
3 0.295464E+04 0.144185E-01
4 0.444615E+03 0.112638E+00
5 0.101047E+03 0.500000E+00
S 1
1 0.280679E+02 1.0000000
S 1
1 0.858366E+01 1.0000000
S 1
1 0.139861E+01 1.0000000
S 1
1 0.399692E+00 1.0000000
S 1
1 0.108020E+00 1.0000000
P 2
1 0.142242E+03 0.329912E-01
2 0.218834E+02 0.500000E+00
P 1
1 0.477691E+01 1.0000000
P 1
1 0.128233E+01 1.0000000
P 1
1 0.311272E+00 1.0000000
P 1
1 0.720540E-01 1.0000000
D 1
1 0.220000E+02 1.0000000
D 1
1 0.110000E+01 1.0000000
D 1
1 0.216160E+00 1.0000000
NEON
S 5
1 0.115003E+07 0.181621E-04
2 0.460012E+05 0.817008E-03
3 0.368010E+04 0.143707E-01
4 0.553749E+03 0.112318E+00
5 0.125865E+03 0.500000E+00
S 1
1 0.350132E+02 1.0000000
S 1
1 0.107389E+02 1.0000000
S 1
1 0.176925E+01 1.0000000
S 1
1 0.501491E+00 1.0000000
S 1
1 0.134500E+00 1.0000000
P 2
1 0.178762E+03 0.327369E-01
2 0.275018E+02 0.500000E+00
P 1
1 0.603973E+01 1.0000000
P 1
1 0.161900E+01 1.0000000
P 1
1 0.389699E+00 1.0000000
P 1
1 0.895000E-01 1.0000000
D 1
1 0.240000E+02 1.0000000
D 1
1 0.120000E+01 1.0000000
D 1
1 0.268500E+00 1.0000000
ALUMINUM
S 8
1 0.108444E+08 0.166070E-05
2 0.433777E+06 0.741237E-04
3 0.347021E+05 0.132879E-02
4 0.520595E+04 0.105372E-01
5 0.118524E+04 0.543428E-01
6 0.335698E+03 0.192734E+00
7 0.109232E+03 0.500000E+00
8 0.391198E+02 0.385104E+00
S 8
1 0.433777E+06 0.391800E-06
2 0.347021E+05 -0.411890E-05
3 0.520595E+04 0.130673E-03
4 0.118524E+04 0.125671E-03
5 0.335698E+03 0.123873E-01
6 0.109232E+03 0.625933E-01
7 0.391198E+02 0.447448E+00
8 0.147087E+02 0.500000E+00
S 1
1 0.348959E+01 1.0000000
S 1
1 0.119362E+01 1.0000000
S 1
1 0.195848E+00 1.0000000
S 1
1 0.714389E-01 1.0000000
S 1
1 0.242900E-01 1.0000000
P 5
1 0.165334E+04 0.328330E-03
2 0.254359E+03 0.629119E-02
3 0.595137E+02 0.502586E-01
4 0.187084E+02 0.205004E+00
5 0.673615E+01 0.500000E+00
P 1
1 0.250453E+01 1.0000000
P 1
1 0.908205E+00 1.0000000
P 1
1 0.209090E+00 1.0000000
P 1
1 0.569900E-01 1.0000000
P 1
1 0.147300E-01 1.0000000
D 1
1 0.720000E+02 1.0000000
D 1
1 0.400000E+00 1.0000000
D 1
1 0.441900E-01 1.0000000
SILICON
S 8
1 0.128947E+08 0.163310E-05
2 0.515787E+06 0.729350E-04
3 0.412629E+05 0.130625E-02
4 0.618962E+04 0.103794E-01
5 0.140869E+04 0.535104E-01
6 0.398772E+03 0.191388E+00
7 0.129686E+03 0.500000E+00
8 0.464249E+02 0.414751E+00
S 8
1 0.515787E+06 0.340300E-06
2 0.412629E+05 -0.359410E-05
3 0.618962E+04 0.114999E-03
4 0.140869E+04 0.138415E-03
5 0.398772E+03 0.112445E-01
6 0.129686E+03 0.590288E-01
7 0.464249E+02 0.418586E+00
8 0.174546E+02 0.500000E+00
S 1
1 0.422221E+01 1.0000000
S 1
1 0.149332E+01 1.0000000
S 1
1 0.271735E+00 1.0000000
S 1
1 0.985023E-01 1.0000000
S 1
1 0.332930E-01 1.0000000
P 5
1 0.201973E+04 0.314607E-03
2 0.310728E+03 0.605292E-02
3 0.728229E+02 0.487381E-01
4 0.229850E+02 0.201379E+00
5 0.832134E+01 0.500000E+00
P 1
1 0.313533E+01 1.0000000
P 1
1 0.116925E+01 1.0000000
P 1
1 0.292809E+00 1.0000000
P 1
1 0.827039E-01 1.0000000
P 1
1 0.221110E-01 1.0000000
D 1
1 0.810000E+02 1.0000000
D 1
1 0.450000E+00 1.0000000
D 1
1 0.663320E-01 1.0000000
PHOSPHORUS
S 8
1 0.150228E+08 0.162100E-05
2 0.600913E+06 0.724344E-04
3 0.480730E+05 0.129638E-02
4 0.721140E+04 0.103128E-01
5 0.164172E+04 0.530876E-01
6 0.464916E+03 0.190786E+00
7 0.151278E+03 0.500000E+00
8 0.541891E+02 0.435174E+00
S 8
1 0.600913E+06 -0.302000E-06
2 0.480730E+05 0.327640E-05
3 0.721140E+04 -0.104052E-03
4 0.164172E+04 -0.150384E-03
5 0.464916E+03 -0.105024E-01
6 0.151278E+03 -0.568762E-01
7 0.541891E+02 -0.399364E+00
8 0.203971E+02 -0.500000E+00
S 1
1 0.502411E+01 1.0000000
S 1
1 0.182458E+01 1.0000000
S 1
1 0.358715E+00 1.0000000
S 1
1 0.128871E+00 1.0000000
S 1
1 0.431940E-01 1.0000000
P 5
1 0.238057E+04 0.308180E-03
2 0.366241E+03 0.593960E-02
3 0.859311E+02 0.480693E-01
4 0.271723E+02 0.200187E+00
5 0.986848E+01 0.500000E+00
P 1
1 0.375331E+01 1.0000000
P 1
1 0.143023E+01 1.0000000
P 1
1 0.386531E+00 1.0000000
P 1
1 0.111456E+00 1.0000000
P 1
1 0.303860E-01 1.0000000
D 1
1 0.900000E+02 1.0000000
D 1
1 0.500000E+00 1.0000000
D 1
1 0.911570E-01 1.0000000
SULFUR
S 8
1 0.173468E+08 0.160760E-05
2 0.693872E+06 0.718570E-04
3 0.555097E+05 0.128542E-02
4 0.832671E+04 0.102357E-01
5 0.189556E+04 0.526665E-01
6 0.536770E+03 0.190075E+00
7 0.174667E+03 0.500000E+00
8 0.625780E+02 0.450840E+00
S 8
1 0.693872E+06 0.278500E-06
2 0.555097E+05 -0.297600E-05
3 0.832671E+04 0.965843E-04
4 0.189556E+04 0.158858E-03
5 0.536770E+03 0.994236E-02
6 0.174667E+03 0.551146E-01
7 0.625780E+02 0.384906E+00
8 0.235734E+02 0.500000E+00
S 1
1 0.589085E+01 1.0000000
S 1
1 0.218520E+01 1.0000000
S 1
1 0.452816E+00 1.0000000
S 1
1 0.162020E+00 1.0000000
S 1
1 0.541000E-01 1.0000000
P 5
1 0.257040E+04 0.323361E-03
2 0.395447E+03 0.620441E-02
3 0.928338E+02 0.500157E-01
4 0.292662E+02 0.206549E+00
5 0.105954E+02 0.500000E+00
P 1
1 0.402722E+01 1.0000000
P 1
1 0.154838E+01 1.0000000
P 1
1 0.461340E+00 1.0000000
P 1
1 0.131315E+00 1.0000000
P 1
1 0.353640E-01 1.0000000
D 1
1 0.990000E+02 1.0000000
D 1
1 0.550000E+00 1.0000000
D 1
1 0.106090E+00 1.0000000
CHLORINE
S 8
1 0.198357E+08 0.159640E-05
2 0.793429E+06 0.713723E-04
3 0.634743E+05 0.127623E-02
4 0.952127E+04 0.101708E-01
5 0.216744E+04 0.523124E-01
6 0.613738E+03 0.189460E+00
7 0.199718E+03 0.500000E+00
8 0.715637E+02 0.463672E+00
S 8
1 0.793429E+06 0.261300E-06
2 0.634743E+05 -0.270870E-05
3 0.952127E+04 0.908582E-04
4 0.216744E+04 0.166531E-03
5 0.613738E+03 0.949758E-02
6 0.199718E+03 0.536988E-01
7 0.715637E+02 0.373343E+00
8 0.269793E+02 0.500000E+00
S 1
1 0.682604E+01 1.0000000
S 1
1 0.257668E+01 1.0000000
S 1
1 0.557522E+00 1.0000000
S 1
1 0.198250E+00 1.0000000
S 1
1 0.658160E-01 1.0000000
P 5
1 0.268530E+04 0.347916E-03
2 0.413123E+03 0.663706E-02
3 0.970540E+02 0.530000E-01
4 0.304820E+02 0.215644E+00
5 0.109615E+02 0.500000E+00
P 1
1 0.412757E+01 1.0000000
P 1
1 0.153377E+01 1.0000000
P 1
1 0.514394E+00 1.0000000
P 1
1 0.150255E+00 1.0000000
P 1
1 0.414670E-01 1.0000000
D 1
1 0.108000E+03 1.0000000
D 1
1 0.600000E+00 1.0000000
D 1
1 0.124400E+00 1.0000000
ARGON
S 8
1 0.224863E+08 0.158800E-05
2 0.899453E+06 0.709664E-04
3 0.719562E+05 0.126854E-02
4 0.107935E+05 0.101160E-01
5 0.245703E+04 0.520146E-01
6 0.695721E+03 0.188930E+00
7 0.226402E+03 0.500000E+00
8 0.811377E+02 0.474166E+00
S 8
1 0.899453E+06 0.265700E-06
2 0.719562E+05 -0.216610E-05
3 0.107935E+05 0.889159E-04
4 0.245703E+04 0.185939E-03
5 0.695721E+03 0.918902E-02
6 0.226402E+03 0.526762E-01
7 0.811377E+02 0.364169E+00
8 0.306123E+02 0.500000E+00
S 1
1 0.782906E+01 1.0000000
S 1
1 0.299872E+01 1.0000000
S 1
1 0.672415E+00 1.0000000
S 1
1 0.237193E+00 1.0000000
S 1
1 0.781500E-01 1.0000000
P 5
1 0.290078E+04 0.361861E-03
2 0.446274E+03 0.688842E-02
3 0.104937E+03 0.547081E-01
4 0.329315E+02 0.220925E+00
5 0.118087E+02 0.500000E+00
P 1
1 0.443044E+01 1.0000000
P 1
1 0.157514E+01 1.0000000
P 1
1 0.564124E+00 1.0000000
P 1
1 0.170147E+00 1.0000000
P 1
1 0.483900E-01 1.0000000
D 1
1 0.117000E+03 1.0000000
D 1
1 0.650000E+00 1.0000000
D 1
1 0.145200E+00 1.0000000

723
basis/aug-pcj-2 Normal file
View File

@ -0,0 +1,723 @@
HYDROGEN
S 3
1 0.235696E+05 0.627991E-03
2 0.942782E+03 0.282362E-01
3 0.754226E+02 0.500000E+00
S 2
1 0.113499E+02 0.103318E+00
2 0.259926E+01 0.500000E+00
S 1
1 0.735130E+00 1.0000000
S 1
1 0.231669E+00 1.0000000
S 1
1 0.741474E-01 1.0000000
S 1
1 0.22334E-01 1.0000000
P 1
1 0.9600000000E+01 1.0000000
P 1
1 0.1600000000E+01 1.0000000
P 1
1 0.4500000000E+00 1.0000000
P 1
1 0.67001E-01 1.0000000
D 1
1 0.7500000000E+01 1.0000000
D 1
1 0.1250000000E+01 1.0000000
D 1
1 0.89334E-01 1.0000000
HELIUM
S 3
1 0.693030E+05 0.629960E-03
2 0.277212E+04 0.283281E-01
3 0.221770E+03 0.500000E+00
S 2
1 0.333745E+02 0.108931E+00
2 0.761142E+01 0.500000E+00
S 1
1 0.210890E+01 1.0000000
S 1
1 0.628777E+00 1.0000000
S 1
1 0.184688E+00 1.0000000
S 1
1 0.51230E-01 1.0000000
P 1
1 0.1440000000E+02 1.0000000
P 1
1 0.2400000000E+01 1.0000000
P 1
1 0.6800000000E+00 1.0000000
P 1
1 0.15370E+00 1.0000000
D 1
1 0.1080000000E+02 1.0000000
D 1
1 0.1800000000E+01 1.0000000
D 1
1 0.20490E+00 1.0000000
BORON
S 5
1 0.163139E+07 0.152555E-04
2 0.652555E+05 0.686049E-03
3 0.522044E+04 0.121508E-01
4 0.783187E+03 0.984993E-01
5 0.178312E+03 0.500000E+00
S 2
1 0.504687E+02 0.180467E+00
2 0.162854E+02 0.500000E+00
S 1
1 0.568847E+01 1.0000000
S 1
1 0.204949E+01 1.0000000
S 1
1 0.514726E+00 1.0000000
S 1
1 0.215561E+00 1.0000000
S 1
1 0.774565E-01 1.0000000
S 1
1 0.25970E-01 1.0000000
P 3
1 0.141765E+03 0.387487E-02
2 0.218100E+02 0.678799E-01
3 0.489298E+01 0.500000E+00
P 1
1 0.139763E+01 1.0000000
P 1
1 0.477473E+00 1.0000000
P 1
1 0.164193E+00 1.0000000
P 1
1 0.540038E-01 1.0000000
P 1
1 0.16670E-01 1.0000000
D 1
1 0.1050000000E+02 1.0000000
D 1
1 0.1050000000E+01 1.0000000
D 1
1 0.3500000000E+00 1.0000000
D 1
1 0.50010E-01 1.0000000
F 1
1 0.4350000000E+01 1.0000000
F 1
1 0.8700000000E+00 1.0000000
F 1
1 0.66680E-01 1.0000000
CARBON
S 5
1 0.245534E+07 0.152218E-04
2 0.982137E+05 0.684468E-03
3 0.785710E+04 0.121252E-01
4 0.117865E+04 0.983137E-01
5 0.268325E+03 0.500000E+00
S 2
1 0.759483E+02 0.177961E+00
2 0.245586E+02 0.500000E+00
S 1
1 0.862118E+01 1.0000000
S 1
1 0.312784E+01 1.0000000
S 1
1 0.822020E+00 1.0000000
S 1
1 0.330170E+00 1.0000000
S 1
1 0.114628E+00 1.0000000
S 1
1 0.37217E-01 1.0000000
P 3
1 0.219536E+03 0.377000E-02
2 0.337748E+02 0.671860E-01
3 0.767659E+01 0.500000E+00
P 1
1 0.223567E+01 1.0000000
P 1
1 0.764466E+00 1.0000000
P 1
1 0.262325E+00 1.0000000
P 1
1 0.846377E-01 1.0000000
P 1
1 0.26449E-01 1.0000000
D 1
1 0.1400000000E+02 1.0000000
D 1
1 0.1400000000E+01 1.0000000
D 1
1 0.4500000000E+00 1.0000000
D 1
1 0.79348E-01 1.0000000
F 1
1 0.4750000000E+01 1.0000000
F 1
1 0.9500000000E+00 1.0000000
F 1
1 0.10580E+00 1.0000000
NITROGEN
S 5
1 0.346918E+07 0.151964E-04
2 0.138767E+06 0.683255E-03
3 0.111014E+05 0.121053E-01
4 0.166525E+04 0.981709E-01
5 0.379083E+03 0.500000E+00
S 2
1 0.107300E+03 0.176015E+00
2 0.347472E+02 0.500000E+00
S 1
1 0.122494E+02 1.0000000
S 1
1 0.447434E+01 1.0000000
S 1
1 0.124037E+01 1.0000000
S 1
1 0.487426E+00 1.0000000
S 1
1 0.164842E+00 1.0000000
S 1
1 0.52165E-01 1.0000000
P 3
1 0.311572E+03 0.372338E-02
2 0.479342E+02 0.670592E-01
3 0.109994E+02 0.500000E+00
P 1
1 0.324724E+01 1.0000000
P 1
1 0.111138E+01 1.0000000
P 1
1 0.379881E+00 1.0000000
P 1
1 0.120678E+00 1.0000000
P 1
1 0.36023E-01 1.0000000
D 1
1 0.1800000000E+02 1.0000000
D 1
1 0.1800000000E+01 1.0000000
D 1
1 0.5500000000E+00 1.0000000
D 1
1 0.10807E+00 1.0000000
F 1
1 0.5100000000E+01 1.0000000
F 1
1 0.1020000000E+01 1.0000000
F 1
1 0.14409E+00 1.0000000
OXYGEN
S 5
1 0.461950E+07 0.151827E-04
2 0.184780E+06 0.682592E-03
3 0.147824E+05 0.120949E-01
4 0.221733E+04 0.980947E-01
5 0.504741E+03 0.500000E+00
S 2
1 0.142873E+03 0.174754E+00
2 0.463005E+02 0.500000E+00
S 1
1 0.163373E+02 1.0000000
S 1
1 0.598281E+01 1.0000000
S 1
1 0.167180E+01 1.0000000
S 1
1 0.646621E+00 1.0000000
S 1
1 0.216687E+00 1.0000000
S 1
1 0.68141E-01 1.0000000
P 3
1 0.392755E+03 0.375116E-02
2 0.604239E+02 0.676130E-01
3 0.139351E+02 0.500000E+00
P 1
1 0.415313E+01 1.0000000
P 1
1 0.141579E+01 1.0000000
P 1
1 0.475491E+00 1.0000000
P 1
1 0.145292E+00 1.0000000
P 1
1 0.41871E-01 1.0000000
D 1
1 0.2200000000E+02 1.0000000
D 1
1 0.2200000000E+01 1.0000000
D 1
1 0.6500000000E+00 1.0000000
D 1
1 0.12561E+00 1.0000000
F 1
1 0.5500000000E+01 1.0000000
F 1
1 0.1100000000E+01 1.0000000
F 1
1 0.16748E+00 1.0000000
FLUORINE
S 5
1 0.597718E+07 0.151683E-04
2 0.239087E+06 0.681937E-03
3 0.191270E+05 0.120840E-01
4 0.286889E+04 0.980215E-01
5 0.653038E+03 0.500000E+00
S 2
1 0.184852E+03 0.173609E+00
2 0.599488E+02 0.500000E+00
S 1
1 0.211900E+02 1.0000000
S 1
1 0.778456E+01 1.0000000
S 1
1 0.223052E+01 1.0000000
S 1
1 0.854087E+00 1.0000000
S 1
1 0.283365E+00 1.0000000
S 1
1 0.88276E-01 1.0000000
P 3
1 0.504656E+03 0.371376E-02
2 0.776394E+02 0.674008E-01
3 0.179653E+02 0.500000E+00
P 1
1 0.540046E+01 1.0000000
P 1
1 0.184226E+01 1.0000000
P 1
1 0.615322E+00 1.0000000
P 1
1 0.184888E+00 1.0000000
P 1
1 0.52376E-01 1.0000000
D 1
1 0.2800000000E+02 1.0000000
D 1
1 0.2800000000E+01 1.0000000
D 1
1 0.8000000000E+00 1.0000000
D 1
1 0.15713E+00 1.0000000
F 1
1 0.6000000000E+01 1.0000000
F 1
1 0.1200000000E+01 1.0000000
F 1
1 0.20951E+00 1.0000000
NEON
S 5
1 0.746237E+07 0.151599E-04
2 0.298495E+06 0.681560E-03
3 0.238796E+05 0.120781E-01
4 0.358170E+04 0.979761E-01
5 0.815274E+03 0.500000E+00
S 2
1 0.230775E+03 0.172996E+00
2 0.748837E+02 0.500000E+00
S 1
1 0.265176E+02 1.0000000
S 1
1 0.976916E+01 1.0000000
S 1
1 0.283050E+01 1.0000000
S 1
1 0.107398E+01 1.0000000
S 1
1 0.354000E+00 1.0000000
S 1
1 0.10950E+00 1.0000000
P 3
1 0.631190E+03 0.369060E-02
2 0.971062E+02 0.672916E-01
3 0.225433E+02 0.500000E+00
P 1
1 0.681727E+01 1.0000000
P 1
1 0.232630E+01 1.0000000
P 1
1 0.774247E+00 1.0000000
P 1
1 0.230256E+00 1.0000000
P 1
1 0.64620E-01 1.0000000
D 1
1 0.3000000000E+02 1.0000000
D 1
1 0.3000000000E+01 1.0000000
D 1
1 0.8500000000E+00 1.0000000
D 1
1 0.19390E+00 1.0000000
F 1
1 0.6500000000E+01 1.0000000
F 1
1 0.1300000000E+01 1.0000000
F 1
1 0.25850E+00 1.0000000
ALUMINUM
S 7
1 0.311689E+08 0.109049E-05
2 0.124676E+07 0.490885E-04
3 0.997406E+05 0.871170E-03
4 0.149488E+05 0.709292E-02
5 0.340254E+04 0.367479E-01
6 0.963526E+03 0.150654E+00
7 0.314045E+03 0.500000E+00
S 3
1 0.112883E+03 0.189739E+00
2 0.434736E+02 0.404442E+00
3 0.172917E+02 0.500000E+00
S 1
1 0.616220E+01 1.0000000
S 1
1 0.252257E+01 1.0000000
S 1
1 0.968742E+00 1.0000000
S 1
1 0.192507E+00 1.0000000
S 1
1 0.678131E-01 1.0000000
S 1
1 0.22310E-01 1.0000000
P 4
1 0.376812E+04 0.594925E-03
2 0.579711E+03 0.118376E-01
3 0.137542E+03 0.100718E+00
4 0.440670E+02 0.500000E+00
P 3
1 0.161481E+02 0.165928E+00
2 0.648883E+01 0.373503E+00
3 0.266323E+01 0.500000E+00
P 1
1 0.107925E+01 1.0000000
P 1
1 0.397715E+00 1.0000000
P 1
1 0.134753E+00 1.0000000
P 1
1 0.421854E-01 1.0000000
P 1
1 0.12430E-01 1.0000000
D 1
1 0.6615000000E+02 1.0000000
D 1
1 0.1470000000E+01 1.0000000
D 1
1 0.3300000000E+00 1.0000000
D 1
1 0.37290E-01 1.0000000
F 1
1 0.2160000000E+02 1.0000000
F 1
1 0.4800000000E+00 1.0000000
F 1
1 0.49720E-01 1.0000000
SILICON
S 7
1 0.375113E+08 0.108444E-05
2 0.150045E+07 0.488166E-04
3 0.120036E+06 0.866356E-03
4 0.179906E+05 0.705414E-02
5 0.409483E+04 0.365629E-01
6 0.115961E+04 0.150065E+00
7 0.378002E+03 0.500000E+00
S 3
1 0.135934E+03 0.180518E+00
2 0.524107E+02 0.388478E+00
3 0.209268E+02 0.500000E+00
S 1
1 0.771301E+01 1.0000000
S 1
1 0.316043E+01 1.0000000
S 1
1 0.123483E+01 1.0000000
S 1
1 0.267752E+00 1.0000000
S 1
1 0.940670E-01 1.0000000
S 1
1 0.30878E-01 1.0000000
P 4
1 0.440132E+04 0.593719E-03
2 0.677127E+03 0.118210E-01
3 0.160671E+03 0.100796E+00
4 0.515846E+02 0.500000E+00
P 3
1 0.189478E+02 0.163698E+00
2 0.761629E+01 0.361632E+00
3 0.313171E+01 0.500000E+00
P 1
1 0.127035E+01 1.0000000
P 1
1 0.433319E+00 1.0000000
P 1
1 0.160882E+00 1.0000000
P 1
1 0.548828E-01 1.0000000
P 1
1 0.17527E-01 1.0000000
D 1
1 0.7560000000E+02 1.0000000
D 1
1 0.1680000000E+01 1.0000000
D 1
1 0.3800000000E+00 1.0000000
D 1
1 0.52580E-01 1.0000000
F 1
1 0.2430000000E+02 1.0000000
F 1
1 0.5400000000E+00 1.0000000
F 1
1 0.70107E-01 1.0000000
PHOSPHORUS
S 7
1 0.455262E+08 0.107594E-05
2 0.182105E+07 0.484285E-04
3 0.145684E+06 0.859545E-03
4 0.218357E+05 0.699820E-02
5 0.496987E+04 0.362992E-01
6 0.140734E+04 0.149234E+00
7 0.458776E+03 0.500000E+00
S 3
1 0.165076E+03 0.168089E+00
2 0.637443E+02 0.365878E+00
3 0.255982E+02 0.500000E+00
S 1
1 0.993071E+01 1.0000000
S 1
1 0.396858E+01 1.0000000
S 1
1 0.155647E+01 1.0000000
S 1
1 0.354039E+00 1.0000000
S 1
1 0.123939E+00 1.0000000
S 1
1 0.40548E-01 1.0000000
P 4
1 0.537048E+04 0.581667E-03
2 0.826228E+03 0.116002E-01
3 0.196023E+03 0.997002E-01
4 0.629511E+02 0.500000E+00
P 3
1 0.232219E+02 0.156000E+00
2 0.938850E+01 0.352424E+00
3 0.389968E+01 0.500000E+00
P 1
1 0.160483E+01 1.0000000
P 1
1 0.560532E+00 1.0000000
P 1
1 0.211746E+00 1.0000000
P 1
1 0.734856E-01 1.0000000
P 1
1 0.23848E-01 1.0000000
D 1
1 0.8505000000E+02 1.0000000
D 1
1 0.1890000000E+01 1.0000000
D 1
1 0.4300000000E+00 1.0000000
D 1
1 0.71543E-01 1.0000000
F 1
1 0.2700000000E+02 1.0000000
F 1
1 0.6000000000E+00 1.0000000
F 1
1 0.95390E-01 1.0000000
SULFUR
S 7
1 0.537596E+08 0.107107E-05
2 0.215038E+07 0.481811E-04
3 0.172031E+06 0.855239E-03
4 0.257828E+05 0.696400E-02
5 0.586816E+04 0.361355E-01
6 0.166173E+04 0.148717E+00
7 0.541749E+03 0.500000E+00
S 3
1 0.195015E+03 0.161142E+00
2 0.753959E+02 0.353733E+00
3 0.304065E+02 0.500000E+00
S 1
1 0.121210E+02 1.0000000
S 1
1 0.477769E+01 1.0000000
S 1
1 0.189064E+01 1.0000000
S 1
1 0.446857E+00 1.0000000
S 1
1 0.156208E+00 1.0000000
S 1
1 0.51037E-01 1.0000000
P 4
1 0.629281E+04 0.576248E-03
2 0.968124E+03 0.115041E-01
3 0.229696E+03 0.992498E-01
4 0.738332E+02 0.500000E+00
P 3
1 0.273117E+02 0.152769E+00
2 0.110740E+02 0.346701E+00
3 0.463067E+01 0.500000E+00
P 1
1 0.192993E+01 1.0000000
P 1
1 0.687828E+00 1.0000000
P 1
1 0.256627E+00 1.0000000
P 1
1 0.872507E-01 1.0000000
P 1
1 0.27776E-01 1.0000000
D 1
1 0.9450000000E+02 1.0000000
D 1
1 0.2100000000E+01 1.0000000
D 1
1 0.4800000000E+00 1.0000000
D 1
1 0.83327E-01 1.0000000
F 1
1 0.2970000000E+02 1.0000000
F 1
1 0.6600000000E+00 1.0000000
F 1
1 0.11110E+00 1.0000000
CHLORINE
S 7
1 0.628606E+08 0.106682E-05
2 0.251442E+07 0.479540E-04
3 0.201154E+06 0.851279E-03
4 0.301463E+05 0.693265E-02
5 0.686097E+04 0.359859E-01
6 0.194281E+04 0.148249E+00
7 0.633417E+03 0.500000E+00
S 3
1 0.228102E+03 0.155255E+00
2 0.882880E+02 0.343450E+00
3 0.357500E+02 0.500000E+00
S 1
1 0.145706E+02 1.0000000
S 1
1 0.565799E+01 1.0000000
S 1
1 0.225543E+01 1.0000000
S 1
1 0.549472E+00 1.0000000
S 1
1 0.191260E+00 1.0000000
S 1
1 0.62241E-01 1.0000000
P 4
1 0.734431E+04 0.570346E-03
2 0.112989E+04 0.113972E-01
3 0.268065E+03 0.987339E-01
4 0.862217E+02 0.500000E+00
P 3
1 0.319790E+02 0.149576E+00
2 0.130083E+02 0.343388E+00
3 0.547663E+01 0.500000E+00
P 1
1 0.230897E+01 1.0000000
P 1
1 0.846008E+00 1.0000000
P 1
1 0.316591E+00 1.0000000
P 1
1 0.107157E+00 1.0000000
P 1
1 0.33970E-01 1.0000000
D 1
1 0.1039500000E+03 1.0000000
D 1
1 0.2310000000E+01 1.0000000
D 1
1 0.5200000000E+00 1.0000000
D 1
1 0.10191E+00 1.0000000
F 1
1 0.3240000000E+02 1.0000000
F 1
1 0.7200000000E+00 1.0000000
F 1
1 0.13588E+00 1.0000000
ARGON
S 7
1 0.726592E+08 0.106168E-05
2 0.290637E+07 0.477748E-04
3 0.232509E+06 0.848119E-03
4 0.348444E+05 0.690711E-02
5 0.793034E+04 0.358636E-01
6 0.224569E+04 0.147854E+00
7 0.732218E+03 0.500000E+00
S 3
1 0.263770E+03 0.150570E+00
2 0.102195E+03 0.335335E+00
3 0.415255E+02 0.500000E+00
S 1
1 0.172018E+02 1.0000000
S 1
1 0.659673E+01 1.0000000
S 1
1 0.264773E+01 1.0000000
S 1
1 0.661927E+00 1.0000000
S 1
1 0.229008E+00 1.0000000
S 1
1 0.74110E-01 1.0000000
P 4
1 0.843481E+04 0.566320E-03
2 0.129766E+04 0.113249E-01
3 0.307863E+03 0.984058E-01
4 0.990961E+02 0.500000E+00
P 3
1 0.368369E+02 0.148108E+00
2 0.150266E+02 0.343026E+00
3 0.636619E+01 0.500000E+00
P 1
1 0.271095E+01 1.0000000
P 1
1 0.101824E+01 1.0000000
P 1
1 0.382742E+00 1.0000000
P 1
1 0.129456E+00 1.0000000
P 1
1 0.41010E-01 1.0000000
D 1
1 0.1134000000E+03 1.0000000
D 1
1 0.2520000000E+01 1.0000000
D 1
1 0.5700000000E+00 1.0000000
D 1
1 0.12300E+00 1.0000000
F 1
1 0.3510000000E+02 1.0000000
F 1
1 0.7800000000E+00 1.0000000
F 1
1 0.16400E+00 1.0000000

771
basis/aug-pcj-2_2006 Normal file
View File

@ -0,0 +1,771 @@
HYDROGEN
S 4
1 0.235696E+05 0.783660E-04
2 0.942782E+03 0.352323E-02
3 0.754226E+02 0.623968E-01
4 0.113499E+02 0.500000E+00
S 1
1 0.259926E+01 1.0000000
S 1
1 0.735130E+00 1.0000000
S 1
1 0.231669E+00 1.0000000
S 1
1 0.741474E-01 1.0000000
S 1
1 0.223340E-01 1.0000000
P 1
1 0.960000E+01 1.0000000
P 1
1 0.160000E+01 1.0000000
P 1
1 0.450000E+00 1.0000000
P 1
1 0.670010E-01 1.0000000
D 1
1 0.750000E+01 1.0000000
D 1
1 0.125000E+01 1.0000000
D 1
1 0.893340E-01 1.0000000
HELIUM
S 4
1 0.693030E+05 0.797878E-04
2 0.277212E+04 0.358776E-02
3 0.221770E+03 0.633266E-01
4 0.333745E+02 0.500000E+00
S 1
1 0.761142E+01 1.0000000
S 1
1 0.210890E+01 1.0000000
S 1
1 0.628777E+00 1.0000000
S 1
1 0.184688E+00 1.0000000
S 1
1 0.512300E-01 1.0000000
P 1
1 0.144000E+02 1.0000000
P 1
1 0.240000E+01 1.0000000
P 1
1 0.680000E+00 1.0000000
P 1
1 0.153700E+00 1.0000000
D 1
1 0.108000E+02 1.0000000
D 1
1 0.180000E+01 1.0000000
D 1
1 0.204900E+00 1.0000000
BORON
S 6
1 0.163139E+07 0.398080E-05
2 0.652555E+05 0.179031E-03
3 0.522044E+04 0.317083E-02
4 0.783187E+03 0.257039E-01
5 0.178312E+03 0.130477E+00
6 0.504687E+02 0.500000E+00
S 1
1 0.162854E+02 1.0000000
S 1
1 0.568847E+01 1.0000000
S 1
1 0.204949E+01 1.0000000
S 1
1 0.514726E+00 1.0000000
S 1
1 0.215561E+00 1.0000000
S 1
1 0.774565E-01 1.0000000
S 1
1 0.259700E-01 1.0000000
P 3
1 0.141765E+03 0.387501E-02
2 0.218100E+02 0.678525E-01
3 0.489298E+01 0.500000E+00
P 1
1 0.139763E+01 1.0000000
P 1
1 0.477473E+00 1.0000000
P 1
1 0.164193E+00 1.0000000
P 1
1 0.540038E-01 1.0000000
P 1
1 0.166700E-01 1.0000000
D 1
1 0.105000E+02 1.0000000
D 1
1 0.105000E+01 1.0000000
D 1
1 0.350000E+00 1.0000000
D 1
1 0.500100E-01 1.0000000
F 1
1 0.435000E+01 1.0000000
F 1
1 0.870000E+00 1.0000000
F 1
1 0.666800E-01 1.0000000
CARBON
S 6
1 0.245534E+07 0.394790E-05
2 0.982137E+05 0.177539E-03
3 0.785710E+04 0.314502E-02
4 0.117865E+04 0.255010E-01
5 0.268325E+03 0.129690E+00
6 0.759483E+02 0.500000E+00
S 1
1 0.245586E+02 1.0000000
S 1
1 0.862118E+01 1.0000000
S 1
1 0.312784E+01 1.0000000
S 1
1 0.822020E+00 1.0000000
S 1
1 0.330170E+00 1.0000000
S 1
1 0.114628E+00 1.0000000
S 1
1 0.372170E-01 1.0000000
P 3
1 0.219536E+03 0.377021E-02
2 0.337748E+02 0.671471E-01
3 0.767659E+01 0.500000E+00
P 1
1 0.223567E+01 1.0000000
P 1
1 0.764466E+00 1.0000000
P 1
1 0.262325E+00 1.0000000
P 1
1 0.846377E-01 1.0000000
P 1
1 0.264490E-01 1.0000000
D 1
1 0.140000E+02 1.0000000
D 1
1 0.140000E+01 1.0000000
D 1
1 0.450000E+00 1.0000000
D 1
1 0.793480E-01 1.0000000
F 1
1 0.475000E+01 1.0000000
F 1
1 0.950000E+00 1.0000000
F 1
1 0.105800E+00 1.0000000
NITROGEN
S 6
1 0.346918E+07 0.392260E-05
2 0.138767E+06 0.176392E-03
3 0.111014E+05 0.312509E-02
4 0.166525E+04 0.253445E-01
5 0.379083E+03 0.129075E+00
6 0.107300E+03 0.500000E+00
S 1
1 0.347472E+02 1.0000000
S 1
1 0.122494E+02 1.0000000
S 1
1 0.447434E+01 1.0000000
S 1
1 0.124037E+01 1.0000000
S 1
1 0.487426E+00 1.0000000
S 1
1 0.164842E+00 1.0000000
S 1
1 0.521650E-01 1.0000000
P 3
1 0.311572E+03 0.372352E-02
2 0.479342E+02 0.670211E-01
3 0.109994E+02 0.500000E+00
P 1
1 0.324724E+01 1.0000000
P 1
1 0.111138E+01 1.0000000
P 1
1 0.379881E+00 1.0000000
P 1
1 0.120678E+00 1.0000000
P 1
1 0.360230E-01 1.0000000
D 1
1 0.180000E+02 1.0000000
D 1
1 0.180000E+01 1.0000000
D 1
1 0.550000E+00 1.0000000
D 1
1 0.108070E+00 1.0000000
F 1
1 0.510000E+01 1.0000000
F 1
1 0.102000E+01 1.0000000
F 1
1 0.144090E+00 1.0000000
OXYGEN
S 6
1 0.461950E+07 0.390900E-05
2 0.184780E+06 0.175771E-03
3 0.147824E+05 0.311444E-02
4 0.221733E+04 0.252599E-01
5 0.504741E+03 0.128750E+00
6 0.142873E+03 0.500000E+00
S 1
1 0.463005E+02 1.0000000
S 1
1 0.163373E+02 1.0000000
S 1
1 0.598281E+01 1.0000000
S 1
1 0.167180E+01 1.0000000
S 1
1 0.646621E+00 1.0000000
S 1
1 0.216687E+00 1.0000000
S 1
1 0.681410E-01 1.0000000
P 3
1 0.392755E+03 0.375100E-02
2 0.604239E+02 0.676014E-01
3 0.139351E+02 0.500000E+00
P 1
1 0.415313E+01 1.0000000
P 1
1 0.141579E+01 1.0000000
P 1
1 0.475491E+00 1.0000000
P 1
1 0.145292E+00 1.0000000
P 1
1 0.418710E-01 1.0000000
D 1
1 0.220000E+02 1.0000000
D 1
1 0.220000E+01 1.0000000
D 1
1 0.650000E+00 1.0000000
D 1
1 0.125610E+00 1.0000000
F 1
1 0.550000E+01 1.0000000
F 1
1 0.110000E+01 1.0000000
F 1
1 0.167480E+00 1.0000000
FLUORINE
S 6
1 0.597718E+07 0.389500E-05
2 0.239087E+06 0.175137E-03
3 0.191270E+05 0.310345E-02
4 0.286889E+04 0.251740E-01
5 0.653038E+03 0.128413E+00
6 0.184852E+03 0.500000E+00
S 1
1 0.599488E+02 1.0000000
S 1
1 0.211900E+02 1.0000000
S 1
1 0.778456E+01 1.0000000
S 1
1 0.223052E+01 1.0000000
S 1
1 0.854087E+00 1.0000000
S 1
1 0.283365E+00 1.0000000
S 1
1 0.882760E-01 1.0000000
P 3
1 0.504656E+03 0.371375E-02
2 0.776394E+02 0.674012E-01
3 0.179653E+02 0.500000E+00
P 1
1 0.540046E+01 1.0000000
P 1
1 0.184226E+01 1.0000000
P 1
1 0.615322E+00 1.0000000
P 1
1 0.184888E+00 1.0000000
P 1
1 0.523760E-01 1.0000000
D 1
1 0.280000E+02 1.0000000
D 1
1 0.280000E+01 1.0000000
D 1
1 0.800000E+00 1.0000000
D 1
1 0.157130E+00 1.0000000
F 1
1 0.600000E+01 1.0000000
F 1
1 0.120000E+01 1.0000000
F 1
1 0.209510E+00 1.0000000
NEON
S 6
1 0.746237E+07 0.388760E-05
2 0.298495E+06 0.174778E-03
3 0.238796E+05 0.309727E-02
4 0.358170E+04 0.251246E-01
5 0.815274E+03 0.128222E+00
6 0.230775E+03 0.500000E+00
S 1
1 0.748837E+02 1.0000000
S 1
1 0.265176E+02 1.0000000
S 1
1 0.976916E+01 1.0000000
S 1
1 0.283050E+01 1.0000000
S 1
1 0.107398E+01 1.0000000
S 1
1 0.354000E+00 1.0000000
S 1
1 0.109500E+00 1.0000000
P 3
1 0.631190E+03 0.369057E-02
2 0.971062E+02 0.672949E-01
3 0.225433E+02 0.500000E+00
P 1
1 0.681727E+01 1.0000000
P 1
1 0.232630E+01 1.0000000
P 1
1 0.774247E+00 1.0000000
P 1
1 0.230256E+00 1.0000000
P 1
1 0.646200E-01 1.0000000
D 1
1 0.300000E+02 1.0000000
D 1
1 0.300000E+01 1.0000000
D 1
1 0.850000E+00 1.0000000
D 1
1 0.193900E+00 1.0000000
F 1
1 0.650000E+01 1.0000000
F 1
1 0.130000E+01 1.0000000
F 1
1 0.258500E+00 1.0000000
ALUMINUM
S 8
1 0.311689E+08 0.666700E-06
2 0.124676E+07 0.300112E-04
3 0.997406E+05 0.532473E-03
4 0.149488E+05 0.432573E-02
5 0.340254E+04 0.222085E-01
6 0.963526E+03 0.883383E-01
7 0.314045E+03 0.267041E+00
8 0.112883E+03 0.500000E+00
S 8
1 0.124676E+07 -0.127000E-07
2 0.997406E+05 -0.163300E-06
3 0.149488E+05 0.216860E-05
4 0.340254E+04 0.867532E-04
5 0.963526E+03 0.136185E-02
6 0.314045E+03 0.142337E-01
7 0.112883E+03 0.104979E+00
8 0.434736E+02 0.500000E+00
S 1
1 0.172917E+02 1.0000000
S 1
1 0.616220E+01 1.0000000
S 1
1 0.252257E+01 1.0000000
S 1
1 0.968742E+00 1.0000000
S 1
1 0.192507E+00 1.0000000
S 1
1 0.678131E-01 1.0000000
S 1
1 0.223100E-01 1.0000000
P 6
1 0.376812E+04 0.845621E-04
2 0.579711E+03 0.168217E-02
3 0.137542E+03 0.143157E-01
4 0.440670E+02 0.710567E-01
5 0.161481E+02 0.234637E+00
6 0.648883E+01 0.500000E+00
P 1
1 0.266323E+01 1.0000000
P 1
1 0.107925E+01 1.0000000
P 1
1 0.397715E+00 1.0000000
P 1
1 0.134753E+00 1.0000000
P 1
1 0.421854E-01 1.0000000
P 1
1 0.124300E-01 1.0000000
D 1
1 0.661500E+02 1.0000000
D 1
1 0.147000E+01 1.0000000
D 1
1 0.330000E+00 1.0000000
D 1
1 0.372900E-01 1.0000000
F 1
1 0.216000E+02 1.0000000
F 1
1 0.480000E+00 1.0000000
F 1
1 0.497200E-01 1.0000000
SILICON
S 8
1 0.375113E+08 0.665600E-06
2 0.150045E+07 0.299338E-04
3 0.120036E+06 0.531729E-03
4 0.179906E+05 0.431242E-02
5 0.409483E+04 0.222020E-01
6 0.115961E+04 0.880782E-01
7 0.378002E+03 0.268305E+00
8 0.135934E+03 0.500000E+00
S 8
1 0.150045E+07 -0.240000E-08
2 0.120036E+06 -0.205900E-06
3 0.179906E+05 0.444010E-05
4 0.409483E+04 0.769946E-04
5 0.115961E+04 0.141260E-02
6 0.378002E+03 0.137681E-01
7 0.135934E+03 0.105388E+00
8 0.524107E+02 0.500000E+00
S 1
1 0.209268E+02 1.0000000
S 1
1 0.771301E+01 1.0000000
S 1
1 0.316043E+01 1.0000000
S 1
1 0.123483E+01 1.0000000
S 1
1 0.267752E+00 1.0000000
S 1
1 0.940670E-01 1.0000000
S 1
1 0.308780E-01 1.0000000
P 6
1 0.440132E+04 0.840913E-04
2 0.677127E+03 0.167428E-02
3 0.160671E+03 0.142764E-01
4 0.515846E+02 0.708159E-01
5 0.189478E+02 0.234765E+00
6 0.761629E+01 0.500000E+00
P 1
1 0.313171E+01 1.0000000
P 1
1 0.127035E+01 1.0000000
P 1
1 0.433319E+00 1.0000000
P 1
1 0.160882E+00 1.0000000
P 1
1 0.548828E-01 1.0000000
P 1
1 0.175270E-01 1.0000000
D 1
1 0.756000E+02 1.0000000
D 1
1 0.168000E+01 1.0000000
D 1
1 0.380000E+00 1.0000000
D 1
1 0.525800E-01 1.0000000
F 1
1 0.243000E+02 1.0000000
F 1
1 0.540000E+00 1.0000000
F 1
1 0.701070E-01 1.0000000
PHOSPHORUS
S 8
1 0.455262E+08 0.669000E-06
2 0.182105E+07 0.300362E-04
3 0.145684E+06 0.534828E-03
4 0.218357E+05 0.432217E-02
5 0.496987E+04 0.223754E-01
6 0.140734E+04 0.882412E-01
7 0.458776E+03 0.272398E+00
8 0.165076E+03 0.500000E+00
S 8
1 0.182105E+07 -0.144000E-07
2 0.145684E+06 0.331800E-06
3 0.218357E+05 -0.838350E-05
4 0.496987E+04 -0.581730E-04
5 0.140734E+04 -0.152070E-02
6 0.458776E+03 -0.130409E-01
7 0.165076E+03 -0.106912E+00
8 0.637443E+02 -0.500000E+00
S 1
1 0.255982E+02 1.0000000
S 1
1 0.993071E+01 1.0000000
S 1
1 0.396858E+01 1.0000000
S 1
1 0.155647E+01 1.0000000
S 1
1 0.354039E+00 1.0000000
S 1
1 0.123939E+00 1.0000000
S 1
1 0.405480E-01 1.0000000
P 6
1 0.537048E+04 0.796561E-04
2 0.826228E+03 0.158858E-02
3 0.196023E+03 0.136533E-01
4 0.629511E+02 0.684730E-01
5 0.232219E+02 0.229796E+00
6 0.938850E+01 0.500000E+00
P 1
1 0.389968E+01 1.0000000
P 1
1 0.160483E+01 1.0000000
P 1
1 0.560532E+00 1.0000000
P 1
1 0.211746E+00 1.0000000
P 1
1 0.734856E-01 1.0000000
P 1
1 0.238480E-01 1.0000000
D 1
1 0.850500E+02 1.0000000
D 1
1 0.189000E+01 1.0000000
D 1
1 0.430000E+00 1.0000000
D 1
1 0.715430E-01 1.0000000
F 1
1 0.270000E+02 1.0000000
F 1
1 0.600000E+00 1.0000000
F 1
1 0.953900E-01 1.0000000
SULFUR
S 8
1 0.537596E+08 0.669600E-06
2 0.215038E+07 0.300363E-04
3 0.172031E+06 0.535604E-03
4 0.257828E+05 0.432032E-02
5 0.586816E+04 0.224345E-01
6 0.166173E+04 0.881910E-01
7 0.541749E+03 0.274367E+00
8 0.195015E+03 0.500000E+00
S 8
1 0.215038E+07 0.241000E-07
2 0.172031E+06 -0.378900E-06
3 0.257828E+05 0.105114E-04
4 0.586816E+04 0.488852E-04
5 0.166173E+04 0.157237E-02
6 0.541749E+03 0.126239E-01
7 0.195015E+03 0.107458E+00
8 0.753959E+02 0.500000E+00
S 1
1 0.304065E+02 1.0000000
S 1
1 0.121210E+02 1.0000000
S 1
1 0.477769E+01 1.0000000
S 1
1 0.189064E+01 1.0000000
S 1
1 0.446857E+00 1.0000000
S 1
1 0.156208E+00 1.0000000
S 1
1 0.510370E-01 1.0000000
P 6
1 0.629281E+04 0.776826E-04
2 0.968124E+03 0.155082E-02
3 0.229696E+03 0.133796E-01
4 0.738332E+02 0.674034E-01
5 0.273117E+02 0.227742E+00
6 0.110740E+02 0.500000E+00
P 1
1 0.463067E+01 1.0000000
P 1
1 0.192993E+01 1.0000000
P 1
1 0.687828E+00 1.0000000
P 1
1 0.256627E+00 1.0000000
P 1
1 0.872507E-01 1.0000000
P 1
1 0.277760E-01 1.0000000
D 1
1 0.945000E+02 1.0000000
D 1
1 0.210000E+01 1.0000000
D 1
1 0.480000E+00 1.0000000
D 1
1 0.833270E-01 1.0000000
F 1
1 0.297000E+02 1.0000000
F 1
1 0.660000E+00 1.0000000
F 1
1 0.111100E+00 1.0000000
CHLORINE
S 8
1 0.628606E+08 0.670500E-06
2 0.251442E+07 0.300458E-04
3 0.201154E+06 0.536482E-03
4 0.301463E+05 0.431973E-02
5 0.686097E+04 0.224976E-01
6 0.194281E+04 0.881739E-01
7 0.633417E+03 0.276296E+00
8 0.228102E+03 0.500000E+00
S 8
1 0.251442E+07 0.329000E-07
2 0.201154E+06 -0.417300E-06
3 0.301463E+05 0.124370E-04
4 0.686097E+04 0.407578E-04
5 0.194281E+04 0.161905E-02
6 0.633417E+03 0.122526E-01
7 0.228102E+03 0.107943E+00
8 0.882880E+02 0.500000E+00
S 1
1 0.357500E+02 1.0000000
S 1
1 0.145706E+02 1.0000000
S 1
1 0.565799E+01 1.0000000
S 1
1 0.225543E+01 1.0000000
S 1
1 0.549472E+00 1.0000000
S 1
1 0.191260E+00 1.0000000
S 1
1 0.622410E-01 1.0000000
P 6
1 0.734431E+04 0.755284E-04
2 0.112989E+04 0.150930E-02
3 0.268065E+03 0.130750E-01
4 0.862217E+02 0.662130E-01
5 0.319790E+02 0.225353E+00
6 0.130083E+02 0.500000E+00
P 1
1 0.547663E+01 1.0000000
P 1
1 0.230897E+01 1.0000000
P 1
1 0.846008E+00 1.0000000
P 1
1 0.316591E+00 1.0000000
P 1
1 0.107157E+00 1.0000000
P 1
1 0.339700E-01 1.0000000
D 1
1 0.103950E+03 1.0000000
D 1
1 0.231000E+01 1.0000000
D 1
1 0.520000E+00 1.0000000
D 1
1 0.101910E+00 1.0000000
F 1
1 0.324000E+02 1.0000000
F 1
1 0.720000E+00 1.0000000
F 1
1 0.135880E+00 1.0000000
ARGON
S 8
1 0.726592E+08 0.672100E-06
2 0.290637E+07 0.300575E-04
3 0.232509E+06 0.537184E-03
4 0.348444E+05 0.431882E-02
5 0.793034E+04 0.225462E-01
6 0.224569E+04 0.881390E-01
7 0.732218E+03 0.277855E+00
8 0.263770E+03 0.500000E+00
S 8
1 0.290637E+07 0.437000E-07
2 0.232509E+06 -0.347200E-06
3 0.348444E+05 0.147648E-04
4 0.793034E+04 0.384854E-04
5 0.224569E+04 0.167112E-02
6 0.732218E+03 0.119979E-01
7 0.263770E+03 0.108355E+00
8 0.102195E+03 0.500000E+00
S 1
1 0.415255E+02 1.0000000
S 1
1 0.172018E+02 1.0000000
S 1
1 0.659673E+01 1.0000000
S 1
1 0.264773E+01 1.0000000
S 1
1 0.661927E+00 1.0000000
S 1
1 0.229008E+00 1.0000000
S 1
1 0.741100E-01 1.0000000
P 6
1 0.843481E+04 0.741291E-04
2 0.129766E+04 0.148237E-02
3 0.307863E+03 0.128805E-01
4 0.990961E+02 0.654456E-01
5 0.368369E+02 0.223926E+00
6 0.150266E+02 0.500000E+00
P 1
1 0.636619E+01 1.0000000
P 1
1 0.271095E+01 1.0000000
P 1
1 0.101824E+01 1.0000000
P 1
1 0.382742E+00 1.0000000
P 1
1 0.129456E+00 1.0000000
P 1
1 0.410100E-01 1.0000000
D 1
1 0.113400E+03 1.0000000
D 1
1 0.252000E+01 1.0000000
D 1
1 0.570000E+00 1.0000000
D 1
1 0.123000E+00 1.0000000
F 1
1 0.351000E+02 1.0000000
F 1
1 0.780000E+00 1.0000000
F 1
1 0.164000E+00 1.0000000

997
basis/aug-pcj-3 Normal file
View File

@ -0,0 +1,997 @@
HYDROGEN
S 4
1 0.242090E+06 0.768609E-04
2 0.968361E+04 0.345608E-02
3 0.774689E+03 0.613091E-01
4 0.116159E+03 0.500000E+00
S 3
1 0.264490E+02 0.355828E-01
2 0.750149E+01 0.147911E+00
3 0.245685E+01 0.500000E+00
S 1
1 0.887743E+00 1.0000000
S 1
1 0.340847E+00 1.0000000
S 1
1 0.134773E+00 1.0000000
S 1
1 0.522633E-01 1.0000000
S 1
1 0.18800E-01 1.0000000
P 1
1 0.3900000000E+02 1.0000000
P 1
1 0.6500000000E+01 1.0000000
P 1
1 0.1550000000E+01 1.0000000
P 1
1 0.5500000000E+00 1.0000000
P 1
1 0.2000000000E+00 1.0000000
P 1
1 0.56399E-01 1.0000000
D 1
1 0.1170000000E+02 1.0000000
D 1
1 0.1950000000E+01 1.0000000
D 1
1 0.6500000000E+00 1.0000000
D 1
1 0.75199E-01 1.0000000
F 1
1 0.2200000000E+01 1.0000000
F 1
1 0.93999E-01 1.0000000
HELIUM
S 4
1 0.677320E+06 0.770385E-04
2 0.270928E+05 0.346312E-02
3 0.216742E+04 0.614330E-01
4 0.324988E+03 0.500000E+00
S 3
1 0.739935E+02 0.384266E-01
2 0.209754E+02 0.156176E+00
3 0.684520E+01 0.500000E+00
S 1
1 0.243945E+01 1.0000000
S 1
1 0.902506E+00 1.0000000
S 1
1 0.333134E+00 1.0000000
S 1
1 0.124133E+00 1.0000000
S 1
1 0.43040E-01 1.0000000
P 1
1 0.6420000000E+02 1.0000000
P 1
1 0.1070000000E+02 1.0000000
P 1
1 0.2550000000E+01 1.0000000
P 1
1 0.9000000000E+00 1.0000000
P 1
1 0.3300000000E+00 1.0000000
P 1
1 0.12910E+00 1.0000000
D 1
1 0.1920000000E+02 1.0000000
D 1
1 0.3200000000E+01 1.0000000
D 1
1 0.1070000000E+01 1.0000000
D 1
1 0.17220E+00 1.0000000
F 1
1 0.3200000000E+01 1.0000000
F 1
1 0.21520E+00 1.0000000
BORON
S 6
1 0.179421E+08 0.349767E-05
2 0.717685E+06 0.157599E-03
3 0.574148E+05 0.279912E-02
4 0.860153E+04 0.228320E-01
5 0.195779E+04 0.119146E+00
6 0.554611E+03 0.500000E+00
S 3
1 0.181051E+03 0.613105E-01
2 0.654909E+02 0.193322E+00
3 0.255994E+02 0.500000E+00
S 1
1 0.105323E+02 1.0000000
S 1
1 0.444648E+01 1.0000000
S 1
1 0.188320E+01 1.0000000
S 1
1 0.698312E+00 1.0000000
S 1
1 0.343100E+00 1.0000000
S 1
1 0.142760E+00 1.0000000
S 1
1 0.581574E-01 1.0000000
S 1
1 0.21910E-01 1.0000000
P 3
1 0.585723E+03 0.297808E-02
2 0.901112E+02 0.577255E-01
3 0.211653E+02 0.500000E+00
P 2
1 0.656183E+01 0.181727E+00
2 0.256465E+01 0.500000E+00
P 1
1 0.105104E+01 1.0000000
P 1
1 0.451929E+00 1.0000000
P 1
1 0.194682E+00 1.0000000
P 1
1 0.832120E-01 1.0000000
P 1
1 0.332973E-01 1.0000000
P 1
1 0.12340E-01 1.0000000
D 1
1 0.2200000000E+02 1.0000000
D 1
1 0.4000000000E+01 1.0000000
D 1
1 0.1050000000E+01 1.0000000
D 1
1 0.4000000000E+00 1.0000000
D 1
1 0.1500000000E+00 1.0000000
D 1
1 0.37010E-01 1.0000000
F 1
1 0.4200000000E+01 1.0000000
F 1
1 0.1200000000E+01 1.0000000
F 1
1 0.5200000000E+00 1.0000000
F 1
1 0.49350E-01 1.0000000
G 1
1 0.1300000000E+01 1.0000000
G 1
1 0.61680E-01 1.0000000
CARBON
S 6
1 0.272316E+08 0.350765E-05
2 0.108927E+07 0.157395E-03
3 0.871412E+05 0.279604E-02
4 0.130520E+05 0.228130E-01
5 0.297061E+04 0.119059E+00
6 0.841460E+03 0.500000E+00
S 3
1 0.274589E+03 0.597224E-01
2 0.992150E+02 0.188522E+00
3 0.386940E+02 0.500000E+00
S 1
1 0.159109E+02 1.0000000
S 1
1 0.676677E+01 1.0000000
S 1
1 0.289837E+01 1.0000000
S 1
1 0.112459E+01 1.0000000
S 1
1 0.514464E+00 1.0000000
S 1
1 0.211760E+00 1.0000000
S 1
1 0.850172E-01 1.0000000
S 1
1 0.31605E-01 1.0000000
P 3
1 0.963557E+03 0.290970E-02
2 0.148240E+03 0.568714E-01
3 0.349117E+02 0.500000E+00
P 2
1 0.108936E+02 0.167216E+00
2 0.419336E+01 0.500000E+00
P 1
1 0.171343E+01 1.0000000
P 1
1 0.735662E+00 1.0000000
P 1
1 0.316374E+00 1.0000000
P 1
1 0.132416E+00 1.0000000
P 1
1 0.519006E-01 1.0000000
P 1
1 0.18873E-01 1.0000000
D 1
1 0.2860000000E+02 1.0000000
D 1
1 0.5200000000E+01 1.0000000
D 1
1 0.1350000000E+01 1.0000000
D 1
1 0.5200000000E+00 1.0000000
D 1
1 0.2000000000E+00 1.0000000
D 1
1 0.56619E-01 1.0000000
F 1
1 0.5250000000E+01 1.0000000
F 1
1 0.1500000000E+01 1.0000000
F 1
1 0.6500000000E+00 1.0000000
F 1
1 0.75492E-01 1.0000000
G 1
1 0.1400000000E+01 1.0000000
G 1
1 0.94365E-01 1.0000000
NITROGEN
S 6
1 0.389206E+08 0.349953E-05
2 0.155682E+07 0.157184E-03
3 0.124546E+06 0.279199E-02
4 0.186556E+05 0.227828E-01
5 0.424506E+04 0.118957E+00
6 0.120210E+04 0.500000E+00
S 3
1 0.392142E+03 0.585517E-01
2 0.141580E+03 0.185001E+00
3 0.551359E+02 0.500000E+00
S 1
1 0.226432E+02 1.0000000
S 1
1 0.965655E+01 1.0000000
S 1
1 0.416854E+01 1.0000000
S 1
1 0.166780E+01 1.0000000
S 1
1 0.745736E+00 1.0000000
S 1
1 0.305157E+00 1.0000000
S 1
1 0.120888E+00 1.0000000
S 1
1 0.44444E-01 1.0000000
P 3
1 0.141886E+04 0.287321E-02
2 0.218287E+03 0.565511E-01
3 0.514884E+02 0.500000E+00
P 2
1 0.161303E+02 0.158774E+00
2 0.613074E+01 0.500000E+00
P 1
1 0.250523E+01 1.0000000
P 1
1 0.107298E+01 1.0000000
P 1
1 0.458381E+00 1.0000000
P 1
1 0.189481E+00 1.0000000
P 1
1 0.733589E-01 1.0000000
P 1
1 0.26388E-01 1.0000000
D 1
1 0.3300000000E+02 1.0000000
D 1
1 0.6000000000E+01 1.0000000
D 1
1 0.1650000000E+01 1.0000000
D 1
1 0.6500000000E+00 1.0000000
D 1
1 0.2500000000E+00 1.0000000
D 1
1 0.79164E-01 1.0000000
F 1
1 0.6300000000E+01 1.0000000
F 1
1 0.1800000000E+01 1.0000000
F 1
1 0.7700000000E+00 1.0000000
F 1
1 0.10555E+00 1.0000000
G 1
1 0.1500000000E+01 1.0000000
G 1
1 0.13194E+00 1.0000000
OXYGEN
S 6
1 0.512593E+08 0.349915E-05
2 0.205037E+07 0.157242E-03
3 0.164030E+06 0.279339E-02
4 0.245674E+05 0.227950E-01
5 0.559105E+04 0.118987E+00
6 0.158362E+04 0.500000E+00
S 3
1 0.516670E+03 0.583536E-01
2 0.186555E+03 0.184741E+00
3 0.726960E+02 0.500000E+00
S 1
1 0.299924E+02 1.0000000
S 1
1 0.128992E+02 1.0000000
S 1
1 0.561355E+01 1.0000000
S 1
1 0.229864E+01 1.0000000
S 1
1 0.999797E+00 1.0000000
S 1
1 0.407461E+00 1.0000000
S 1
1 0.159225E+00 1.0000000
S 1
1 0.57690E-01 1.0000000
P 3
1 0.176812E+04 0.288614E-02
2 0.272018E+03 0.569650E-01
3 0.642425E+02 0.500000E+00
P 2
1 0.202494E+02 0.156090E+00
2 0.764384E+01 0.500000E+00
P 1
1 0.312320E+01 1.0000000
P 1
1 0.132510E+01 1.0000000
P 1
1 0.555508E+00 1.0000000
P 1
1 0.222286E+00 1.0000000
P 1
1 0.840097E-01 1.0000000
P 1
1 0.29477E-01 1.0000000
D 1
1 0.3850000000E+02 1.0000000
D 1
1 0.7000000000E+01 1.0000000
D 1
1 0.2000000000E+01 1.0000000
D 1
1 0.8000000000E+00 1.0000000
D 1
1 0.3000000000E+00 1.0000000
D 1
1 0.88431E-01 1.0000000
F 1
1 0.7350000000E+01 1.0000000
F 1
1 0.2100000000E+01 1.0000000
F 1
1 0.9000000000E+00 1.0000000
F 1
1 0.11791E+00 1.0000000
G 1
1 0.1600000000E+01 1.0000000
G 1
1 0.14739E+00 1.0000000
FLUORINE
S 6
1 0.673933E+08 0.349838E-05
2 0.269573E+07 0.157152E-03
3 0.215659E+06 0.279161E-02
4 0.322991E+05 0.227817E-01
5 0.735044E+04 0.118935E+00
6 0.208182E+04 0.500000E+00
S 3
1 0.679087E+03 0.577445E-01
2 0.245100E+03 0.183303E+00
3 0.954615E+02 0.500000E+00
S 1
1 0.394224E+02 1.0000000
S 1
1 0.170182E+02 1.0000000
S 1
1 0.745246E+01 1.0000000
S 1
1 0.313290E+01 1.0000000
S 1
1 0.133946E+01 1.0000000
S 1
1 0.542183E+00 1.0000000
S 1
1 0.209037E+00 1.0000000
S 1
1 0.74924E-01 1.0000000
P 3
1 0.228290E+04 0.287146E-02
2 0.351216E+03 0.568044E-01
3 0.829778E+02 0.500000E+00
P 2
1 0.262671E+02 0.153927E+00
2 0.993065E+01 0.500000E+00
P 1
1 0.406700E+01 1.0000000
P 1
1 0.172462E+01 1.0000000
P 1
1 0.719760E+00 1.0000000
P 1
1 0.286244E+00 1.0000000
P 1
1 0.107890E+00 1.0000000
P 1
1 0.37856E-01 1.0000000
D 1
1 0.4620000000E+02 1.0000000
D 1
1 0.8400000000E+01 1.0000000
D 1
1 0.2600000000E+01 1.0000000
D 1
1 0.1000000000E+01 1.0000000
D 1
1 0.3500000000E+00 1.0000000
D 1
1 0.11357E+00 1.0000000
F 1
1 0.9100000000E+01 1.0000000
F 1
1 0.2600000000E+01 1.0000000
F 1
1 0.1050000000E+01 1.0000000
F 1
1 0.15142E+00 1.0000000
G 1
1 0.1700000000E+01 1.0000000
G 1
1 0.18928E+00 1.0000000
NEON
S 6
1 0.845824E+08 0.350068E-05
2 0.338329E+07 0.157151E-03
3 0.270664E+06 0.279145E-02
4 0.405414E+05 0.227788E-01
5 0.922653E+04 0.118914E+00
6 0.261317E+04 0.500000E+00
S 3
1 0.852388E+03 0.573420E-01
2 0.307607E+03 0.182043E+00
3 0.119758E+03 0.500000E+00
S 1
1 0.494369E+02 1.0000000
S 1
1 0.213685E+02 1.0000000
S 1
1 0.939206E+01 1.0000000
S 1
1 0.398322E+01 1.0000000
S 1
1 0.168867E+01 1.0000000
S 1
1 0.680305E+00 1.0000000
S 1
1 0.260241E+00 1.0000000
S 1
1 0.92480E-01 1.0000000
P 3
1 0.288244E+04 0.285888E-02
2 0.443452E+03 0.566836E-01
3 0.104816E+03 0.500000E+00
P 2
1 0.332550E+02 0.151641E+00
2 0.125479E+02 0.500000E+00
P 1
1 0.514211E+01 1.0000000
P 1
1 0.217829E+01 1.0000000
P 1
1 0.906445E+00 1.0000000
P 1
1 0.359944E+00 1.0000000
P 1
1 0.135148E+00 1.0000000
P 1
1 0.47210E-01 1.0000000
D 1
1 0.5500000000E+02 1.0000000
D 1
1 0.1000000000E+02 1.0000000
D 1
1 0.3000000000E+01 1.0000000
D 1
1 0.1150000000E+01 1.0000000
D 1
1 0.4000000000E+00 1.0000000
D 1
1 0.14160E+00 1.0000000
F 1
1 0.9800000000E+01 1.0000000
F 1
1 0.2800000000E+01 1.0000000
F 1
1 0.1150000000E+01 1.0000000
F 1
1 0.18880E+00 1.0000000
G 1
1 0.1800000000E+01 1.0000000
G 1
1 0.23600E+00 1.0000000
ALUMINUM
S 8
1 0.225467E+09 0.306427E-06
2 0.901868E+07 0.137572E-04
3 0.721495E+06 0.244176E-03
4 0.108090E+06 0.199226E-02
5 0.246053E+05 0.104040E-01
6 0.697136E+04 0.438326E-01
7 0.227488E+04 0.158038E+00
8 0.821595E+03 0.500000E+00
S 4
1 0.320775E+03 0.627765E-01
2 0.133150E+03 0.158201E+00
3 0.578165E+02 0.321900E+00
4 0.259536E+02 0.500000E+00
S 1
1 0.118993E+02 1.0000000
S 1
1 0.474985E+01 1.0000000
S 1
1 0.206880E+01 1.0000000
S 1
1 0.877791E+00 1.0000000
S 1
1 0.249508E+00 1.0000000
S 1
1 0.114618E+00 1.0000000
S 1
1 0.481927E-01 1.0000000
S 1
1 0.18690E-01 1.0000000
P 6
1 0.131283E+05 0.377419E-04
2 0.201974E+04 0.770358E-03
3 0.478633E+03 0.700805E-02
4 0.155019E+03 0.390273E-01
5 0.579042E+02 0.166194E+00
6 0.241400E+02 0.500000E+00
P 3
1 0.107894E+02 0.248830E+00
2 0.497298E+01 0.441682E+00
3 0.231607E+01 0.500000E+00
P 1
1 0.107906E+01 1.0000000
P 1
1 0.491590E+00 1.0000000
P 1
1 0.204824E+00 1.0000000
P 1
1 0.792561E-01 1.0000000
P 1
1 0.289276E-01 1.0000000
P 1
1 0.98390E-02 1.0000000
D 1
1 0.8400000000E+02 1.0000000
D 1
1 0.5600000000E+01 1.0000000
D 1
1 0.1470000000E+01 1.0000000
D 1
1 0.4400000000E+00 1.0000000
D 1
1 0.1600000000E+00 1.0000000
D 1
1 0.29520E-01 1.0000000
F 1
1 0.1920000000E+02 1.0000000
F 1
1 0.9600000000E+00 1.0000000
F 1
1 0.3200000000E+00 1.0000000
F 1
1 0.39360E-01 1.0000000
G 1
1 0.5800000000E+00 1.0000000
G 1
1 0.49200E-01 1.0000000
SILICON
S 8
1 0.274202E+09 0.305787E-06
2 0.109681E+08 0.137227E-04
3 0.877445E+06 0.243580E-03
4 0.131448E+06 0.198722E-02
5 0.299289E+05 0.103755E-01
6 0.848016E+04 0.437241E-01
7 0.276723E+04 0.157739E+00
8 0.999396E+03 0.500000E+00
S 4
1 0.390144E+03 0.601970E-01
2 0.161910E+03 0.152652E+00
3 0.703042E+02 0.315376E+00
4 0.315787E+02 0.500000E+00
S 1
1 0.144804E+02 1.0000000
S 1
1 0.583828E+01 1.0000000
S 1
1 0.259465E+01 1.0000000
S 1
1 0.112498E+01 1.0000000
S 1
1 0.353562E+00 1.0000000
S 1
1 0.161600E+00 1.0000000
S 1
1 0.672611E-01 1.0000000
S 1
1 0.26105E-01 1.0000000
P 6
1 0.149703E+05 0.378248E-04
2 0.230312E+04 0.770045E-03
3 0.545845E+03 0.701565E-02
4 0.177054E+03 0.388131E-01
5 0.663775E+02 0.165061E+00
6 0.276011E+02 0.500000E+00
P 3
1 0.123430E+02 0.258713E+00
2 0.568939E+01 0.455503E+00
3 0.264060E+01 0.500000E+00
P 1
1 0.120944E+01 1.0000000
P 1
1 0.520126E+00 1.0000000
P 1
1 0.232558E+00 1.0000000
P 1
1 0.981411E-01 1.0000000
P 1
1 0.383603E-01 1.0000000
P 1
1 0.14560E-01 1.0000000
D 1
1 0.9990000000E+02 1.0000000
D 1
1 0.6660000000E+01 1.0000000
D 1
1 0.1750000000E+01 1.0000000
D 1
1 0.5200000000E+00 1.0000000
D 1
1 0.1900000000E+00 1.0000000
D 1
1 0.43680E-01 1.0000000
F 1
1 0.2300000000E+02 1.0000000
F 1
1 0.1150000000E+01 1.0000000
F 1
1 0.3800000000E+00 1.0000000
F 1
1 0.58240E-01 1.0000000
G 1
1 0.6500000000E+00 1.0000000
G 1
1 0.72800E-01 1.0000000
PHOSPHORUS
S 8
1 0.332403E+09 0.308028E-06
2 0.132961E+08 0.138499E-04
3 0.106369E+07 0.245090E-03
4 0.160001E+06 0.198973E-02
5 0.365133E+05 0.103647E-01
6 0.103592E+05 0.436447E-01
7 0.338283E+04 0.157454E+00
8 0.122229E+04 0.500000E+00
S 4
1 0.477305E+03 0.570592E-01
2 0.198087E+03 0.145717E+00
3 0.859940E+02 0.307068E+00
4 0.386272E+02 0.500000E+00
S 1
1 0.176880E+02 1.0000000
S 1
1 0.725513E+01 1.0000000
S 1
1 0.326989E+01 1.0000000
S 1
1 0.143127E+01 1.0000000
S 1
1 0.470467E+00 1.0000000
S 1
1 0.212895E+00 1.0000000
S 1
1 0.877424E-01 1.0000000
S 1
1 0.33408E-01 1.0000000
P 6
1 0.179542E+05 0.373525E-04
2 0.276218E+04 0.760744E-03
3 0.654784E+03 0.693594E-02
4 0.212581E+03 0.384702E-01
5 0.798946E+02 0.163859E+00
6 0.333660E+02 0.500000E+00
P 3
1 0.149865E+02 0.254367E+00
2 0.696804E+01 0.453157E+00
3 0.328178E+01 0.500000E+00
P 1
1 0.152471E+01 1.0000000
P 1
1 0.669237E+00 1.0000000
P 1
1 0.299291E+00 1.0000000
P 1
1 0.128110E+00 1.0000000
P 1
1 0.509917E-01 1.0000000
P 1
1 0.18800E-01 1.0000000
D 1
1 0.1156500000E+03 1.0000000
D 1
1 0.7710000000E+01 1.0000000
D 1
1 0.2030000000E+01 1.0000000
D 1
1 0.6000000000E+00 1.0000000
D 1
1 0.2200000000E+00 1.0000000
D 1
1 0.56399E-01 1.0000000
F 1
1 0.2680000000E+02 1.0000000
F 1
1 0.1340000000E+01 1.0000000
F 1
1 0.4500000000E+00 1.0000000
F 1
1 0.75199E-01 1.0000000
G 1
1 0.7200000000E+00 1.0000000
G 1
1 0.93999E-01 1.0000000
SULFUR
S 8
1 0.390761E+09 0.307564E-06
2 0.156305E+08 0.138410E-04
3 0.125044E+07 0.245011E-03
4 0.188077E+06 0.198940E-02
5 0.429181E+05 0.103624E-01
6 0.121790E+05 0.436189E-01
7 0.397874E+04 0.157315E+00
8 0.143814E+04 0.500000E+00
S 4
1 0.561672E+03 0.555129E-01
2 0.233113E+03 0.142291E+00
3 0.101218E+03 0.302945E+00
4 0.454926E+02 0.500000E+00
S 1
1 0.208467E+02 1.0000000
S 1
1 0.864916E+01 1.0000000
S 1
1 0.394558E+01 1.0000000
S 1
1 0.174718E+01 1.0000000
S 1
1 0.599527E+00 1.0000000
S 1
1 0.271272E+00 1.0000000
S 1
1 0.110799E+00 1.0000000
S 1
1 0.41837E-01 1.0000000
P 6
1 0.213577E+05 0.366419E-04
2 0.328580E+04 0.746094E-03
3 0.778928E+03 0.681549E-02
4 0.252759E+03 0.379984E-01
5 0.950996E+02 0.162327E+00
6 0.398205E+02 0.500000E+00
P 3
1 0.179253E+02 0.244865E+00
2 0.836991E+01 0.439416E+00
3 0.396547E+01 0.500000E+00
P 1
1 0.185395E+01 1.0000000
P 1
1 0.819709E+00 1.0000000
P 1
1 0.361168E+00 1.0000000
P 1
1 0.150974E+00 1.0000000
P 1
1 0.596196E-01 1.0000000
P 1
1 0.21820E-01 1.0000000
D 1
1 0.1314000000E+03 1.0000000
D 1
1 0.8760000000E+01 1.0000000
D 1
1 0.2300000000E+01 1.0000000
D 1
1 0.6800000000E+00 1.0000000
D 1
1 0.2500000000E+00 1.0000000
D 1
1 0.65461E-01 1.0000000
F 1
1 0.3060000000E+02 1.0000000
F 1
1 0.1530000000E+01 1.0000000
F 1
1 0.5100000000E+00 1.0000000
F 1
1 0.87282E-01 1.0000000
G 1
1 0.7900000000E+00 1.0000000
G 1
1 0.10910E+00 1.0000000
CHLORINE
S 8
1 0.456590E+09 0.305890E-06
2 0.182636E+08 0.137663E-04
3 0.146109E+07 0.243938E-03
4 0.219593E+06 0.198252E-02
5 0.500849E+05 0.103334E-01
6 0.142058E+05 0.435326E-01
7 0.463895E+04 0.157118E+00
8 0.167635E+04 0.500000E+00
S 4
1 0.654515E+03 0.540936E-01
2 0.271526E+03 0.139213E+00
3 0.117867E+03 0.299167E+00
4 0.529838E+02 0.500000E+00
S 1
1 0.242916E+02 1.0000000
S 1
1 0.101841E+02 1.0000000
S 1
1 0.469284E+01 1.0000000
S 1
1 0.209736E+01 1.0000000
S 1
1 0.748674E+00 1.0000000
S 1
1 0.336135E+00 1.0000000
S 1
1 0.135729E+00 1.0000000
S 1
1 0.50711E-01 1.0000000
P 6
1 0.249969E+05 0.361271E-04
2 0.384568E+04 0.736113E-03
3 0.911226E+03 0.673840E-02
4 0.295641E+03 0.376820E-01
5 0.111403E+03 0.161201E+00
6 0.467674E+02 0.500000E+00
P 3
1 0.211061E+02 0.239886E+00
2 0.990577E+01 0.433956E+00
3 0.473468E+01 0.500000E+00
P 1
1 0.223643E+01 1.0000000
P 1
1 0.100711E+01 1.0000000
P 1
1 0.443689E+00 1.0000000
P 1
1 0.184880E+00 1.0000000
P 1
1 0.732679E-01 1.0000000
P 1
1 0.26904E-01 1.0000000
D 1
1 0.1471500000E+03 1.0000000
D 1
1 0.9810000000E+01 1.0000000
D 1
1 0.2580000000E+01 1.0000000
D 1
1 0.7600000000E+00 1.0000000
D 1
1 0.2800000000E+00 1.0000000
D 1
1 0.80711E-01 1.0000000
F 1
1 0.3440000000E+02 1.0000000
F 1
1 0.1720000000E+01 1.0000000
F 1
1 0.5700000000E+00 1.0000000
F 1
1 0.10761E+00 1.0000000
G 1
1 0.8600000000E+00 1.0000000
G 1
1 0.13452E+00 1.0000000
ARGON
S 8
1 0.531924E+09 0.302814E-06
2 0.212770E+08 0.135757E-04
3 0.170216E+07 0.241046E-03
4 0.254909E+06 0.196793E-02
5 0.580115E+05 0.102818E-01
6 0.164313E+05 0.433808E-01
7 0.536050E+04 0.156794E+00
8 0.193540E+04 0.500000E+00
S 4
1 0.755086E+03 0.528827E-01
2 0.313082E+03 0.136543E+00
3 0.135883E+03 0.295805E+00
4 0.610919E+02 0.500000E+00
S 1
1 0.280236E+02 1.0000000
S 1
1 0.118596E+02 1.0000000
S 1
1 0.551166E+01 1.0000000
S 1
1 0.248217E+01 1.0000000
S 1
1 0.917608E+00 1.0000000
S 1
1 0.407031E+00 1.0000000
S 1
1 0.162384E+00 1.0000000
S 1
1 0.59990E-01 1.0000000
P 6
1 0.287006E+05 0.357258E-04
2 0.441547E+04 0.727737E-03
3 0.104630E+04 0.666768E-02
4 0.339536E+03 0.373385E-01
5 0.128103E+03 0.160005E+00
6 0.538230E+02 0.500000E+00
P 3
1 0.243068E+02 0.240710E+00
2 0.114402E+02 0.436957E+00
3 0.551320E+01 0.500000E+00
P 1
1 0.263306E+01 1.0000000
P 1
1 0.121091E+01 1.0000000
P 1
1 0.534114E+00 1.0000000
P 1
1 0.223141E+00 1.0000000
P 1
1 0.887920E-01 1.0000000
P 1
1 0.32730E-01 1.0000000
D 1
1 0.1629000000E+03 1.0000000
D 1
1 0.1086000000E+02 1.0000000
D 1
1 0.2860000000E+01 1.0000000
D 1
1 0.8400000000E+00 1.0000000
D 1
1 0.3100000000E+00 1.0000000
D 1
1 0.98190E-01 1.0000000
F 1
1 0.3820000000E+02 1.0000000
F 1
1 0.1910000000E+01 1.0000000
F 1
1 0.6300000000E+00 1.0000000
F 1
1 0.13090E+00 1.0000000
G 1
1 0.9300000000E+00 1.0000000
G 1
1 0.16360E+00 1.0000000

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@ -0,0 +1,955 @@
HYDROGEN
S 4
1 0.754226E+02 0.406941E-02
2 0.113499E+02 0.322324E-01
3 0.259926E+01 0.150651E+00
4 0.735130E+00 0.500000E+00
S 1
1 0.231669E+00 1.0000000
S 1
1 0.741474E-01 1.0000000
S 1
1 0.223340E-01 1.0000000
P 2
1 0.960000E+01 0.181540E-01
2 0.160000E+01 0.500000E+00
P 1
1 0.450000E+00 1.0000000
P 1
1 0.670010E-01 1.0000000
D 1
1 0.125000E+01 1.0000000
D 1
1 0.893340E-01 1.0000000
HELIUM
S 4
1 0.221770E+03 0.495966E-02
2 0.333745E+02 0.376144E-01
3 0.761142E+01 0.173411E+00
4 0.210890E+01 0.500000E+00
S 1
1 0.628777E+00 1.0000000
S 1
1 0.184688E+00 1.0000000
S 1
1 0.512300E-01 1.0000000
P 2
1 0.144000E+02 0.333690E-01
2 0.240000E+01 0.500000E+00
P 1
1 0.680000E+00 1.0000000
P 1
1 0.153700E+00 1.0000000
D 1
1 0.180000E+01 1.0000000
D 1
1 0.204900E+00 1.0000000
LITHIUM
S 7
1 0.150248E+04 0.901357E-03
2 0.225509E+03 0.691064E-02
3 0.513747E+02 0.353577E-01
4 0.145466E+02 0.128246E+00
5 0.466451E+01 0.341816E+00
6 0.160082E+01 0.500000E+00
7 0.552624E+00 0.317712E+00
S 7
1 0.225509E+03 0.541931E-04
2 0.513747E+02 -0.237791E-03
3 0.145466E+02 0.521624E-03
4 0.466451E+01 -0.148187E-01
5 0.160082E+01 -0.231905E-01
6 0.552624E+00 -0.160225E+00
7 0.103657E+00 0.500000E+00
S 1
1 0.474424E-01 1.0000000
S 1
1 0.197901E-01 1.0000000
S 1
1 0.762000E-02 1.0000000
P 3
1 0.344500E+02 0.469969E-02
2 0.530000E+01 0.561545E-01
3 0.115000E+01 0.500000E+00
P 1
1 0.290000E+00 1.0000000
P 1
1 0.900000E-01 1.0000000
P 1
1 0.228600E-01 1.0000000
D 1
1 0.260000E+00 1.0000000
D 1
1 0.304800E-01 1.0000000
BERYLLIUM
S 7
1 0.306728E+04 0.752690E-03
2 0.460236E+03 0.574493E-02
3 0.104801E+03 0.298212E-01
4 0.296575E+02 0.109807E+00
5 0.953653E+01 0.308887E+00
6 0.331058E+01 0.500000E+00
7 0.118043E+01 0.338212E+00
S 7
1 0.460236E+03 0.279935E-04
2 0.104801E+03 -0.211426E-03
3 0.296575E+02 -0.664327E-03
4 0.953653E+01 -0.186001E-01
5 0.331058E+01 -0.548039E-01
6 0.118043E+01 -0.205404E+00
7 0.268707E+00 0.500000E+00
S 1
1 0.117739E+00 1.0000000
S 1
1 0.446849E-01 1.0000000
S 1
1 0.157600E-01 1.0000000
P 3
1 0.535600E+02 0.476797E-02
2 0.824000E+01 0.792703E-01
3 0.179000E+01 0.500000E+00
P 1
1 0.450000E+00 1.0000000
P 1
1 0.140000E+00 1.0000000
P 1
1 0.472800E-01 1.0000000
D 1
1 0.390000E+00 1.0000000
D 1
1 0.630400E-01 1.0000000
BORON
S 7
1 0.522044E+04 0.674977E-03
2 0.783187E+03 0.516589E-02
3 0.178312E+03 0.268123E-01
4 0.504687E+02 0.100588E+00
5 0.162854E+02 0.287163E+00
6 0.568847E+01 0.500000E+00
7 0.204949E+01 0.356843E+00
S 7
1 0.783187E+03 0.242725E-04
2 0.178312E+03 -0.210222E-03
3 0.504687E+02 -0.825682E-03
4 0.162854E+02 -0.201183E-01
5 0.568847E+01 -0.644182E-01
6 0.204949E+01 -0.230294E+00
7 0.514726E+00 0.500000E+00
S 1
1 0.215561E+00 1.0000000
S 1
1 0.774565E-01 1.0000000
S 1
1 0.259700E-01 1.0000000
P 4
1 0.141765E+03 0.101585E-02
2 0.218100E+02 0.214222E-01
3 0.489298E+01 0.143108E+00
4 0.139763E+01 0.500000E+00
P 1
1 0.477473E+00 1.0000000
P 1
1 0.164193E+00 1.0000000
P 1
1 0.540038E-01 1.0000000
P 1
1 0.166700E-01 1.0000000
D 1
1 0.105000E+01 1.0000000
D 1
1 0.350000E+00 1.0000000
D 1
1 0.500100E-01 1.0000000
F 1
1 0.870000E+00 1.0000000
F 1
1 0.666800E-01 1.0000000
CARBON
S 7
1 0.785710E+04 0.642223E-03
2 0.117865E+04 0.493018E-02
3 0.268325E+03 0.255246E-01
4 0.759483E+02 0.969662E-01
5 0.245586E+02 0.278279E+00
6 0.862118E+01 0.500000E+00
7 0.312784E+01 0.369563E+00
S 7
1 0.117865E+04 0.220880E-04
2 0.268325E+03 -0.202720E-03
3 0.759483E+02 -0.889512E-03
4 0.245586E+02 -0.199457E-01
5 0.862118E+01 -0.690043E-01
6 0.312784E+01 -0.230090E+00
7 0.822020E+00 0.500000E+00
S 1
1 0.330170E+00 1.0000000
S 1
1 0.114628E+00 1.0000000
S 1
1 0.372170E-01 1.0000000
P 4
1 0.219536E+03 0.971271E-03
2 0.337748E+02 0.202494E-01
3 0.767659E+01 0.138773E+00
4 0.223567E+01 0.500000E+00
P 1
1 0.764466E+00 1.0000000
P 1
1 0.262325E+00 1.0000000
P 1
1 0.846377E-01 1.0000000
P 1
1 0.264490E-01 1.0000000
D 1
1 0.140000E+01 1.0000000
D 1
1 0.450000E+00 1.0000000
D 1
1 0.793480E-01 1.0000000
F 1
1 0.950000E+00 1.0000000
F 1
1 0.105800E+00 1.0000000
NITROGEN
S 7
1 0.111014E+05 0.618632E-03
2 0.166525E+04 0.475787E-02
3 0.379083E+03 0.246049E-01
4 0.107300E+03 0.942768E-01
5 0.347472E+02 0.272580E+00
6 0.122494E+02 0.500000E+00
7 0.447434E+01 0.387367E+00
S 7
1 0.166525E+04 0.224875E-04
2 0.379083E+03 -0.213811E-03
3 0.107300E+03 -0.102034E-02
4 0.347472E+02 -0.213431E-01
5 0.122494E+02 -0.791865E-01
6 0.447434E+01 -0.251876E+00
7 0.124037E+01 0.500000E+00
S 1
1 0.487426E+00 1.0000000
S 1
1 0.164842E+00 1.0000000
S 1
1 0.521650E-01 1.0000000
P 4
1 0.311572E+03 0.950298E-03
2 0.479342E+02 0.195715E-01
3 0.109994E+02 0.135528E+00
4 0.324724E+01 0.500000E+00
P 1
1 0.111138E+01 1.0000000
P 1
1 0.379881E+00 1.0000000
P 1
1 0.120678E+00 1.0000000
P 1
1 0.360230E-01 1.0000000
D 1
1 0.180000E+01 1.0000000
D 1
1 0.550000E+00 1.0000000
D 1
1 0.108070E+00 1.0000000
F 1
1 0.102000E+01 1.0000000
F 1
1 0.144090E+00 1.0000000
OXYGEN
S 7
1 0.147824E+05 0.607282E-03
2 0.221733E+04 0.467273E-02
3 0.504741E+03 0.241672E-01
4 0.142873E+03 0.929122E-01
5 0.463005E+02 0.270386E+00
6 0.163373E+02 0.500000E+00
7 0.598281E+01 0.392630E+00
S 7
1 0.221733E+04 0.904080E-05
2 0.504741E+03 -0.170992E-03
3 0.142873E+03 -0.136132E-02
4 0.463005E+02 -0.192022E-01
5 0.163373E+02 -0.817923E-01
6 0.598281E+01 -0.233115E+00
7 0.167180E+01 0.500000E+00
S 1
1 0.646621E+00 1.0000000
S 1
1 0.216687E+00 1.0000000
S 1
1 0.681410E-01 1.0000000
P 4
1 0.392755E+03 0.983308E-03
2 0.604239E+02 0.199046E-01
3 0.139351E+02 0.137896E+00
4 0.415313E+01 0.500000E+00
P 1
1 0.141579E+01 1.0000000
P 1
1 0.475491E+00 1.0000000
P 1
1 0.145292E+00 1.0000000
P 1
1 0.418710E-01 1.0000000
D 1
1 0.220000E+01 1.0000000
D 1
1 0.650000E+00 1.0000000
D 1
1 0.125610E+00 1.0000000
F 1
1 0.110000E+01 1.0000000
F 1
1 0.167480E+00 1.0000000
FLUORINE
S 7
1 0.191270E+05 0.595016E-03
2 0.286889E+04 0.457972E-02
3 0.653038E+03 0.236979E-01
4 0.184852E+03 0.913931E-01
5 0.599488E+02 0.267821E+00
6 0.211900E+02 0.500000E+00
7 0.778456E+01 0.403853E+00
S 6
1 0.653038E+03 -0.152102E-03
2 0.184852E+03 -0.168434E-02
3 0.599488E+02 -0.189190E-01
4 0.211900E+02 -0.892036E-01
5 0.778456E+01 -0.238934E+00
6 0.223052E+01 0.500000E+00
S 1
1 0.854087E+00 1.0000000
S 1
1 0.283365E+00 1.0000000
S 1
1 0.882760E-01 1.0000000
P 4
1 0.504656E+03 0.985024E-03
2 0.776394E+02 0.197639E-01
3 0.179653E+02 0.138615E+00
4 0.540046E+01 0.500000E+00
P 1
1 0.184226E+01 1.0000000
P 1
1 0.615322E+00 1.0000000
P 1
1 0.184888E+00 1.0000000
P 1
1 0.523760E-01 1.0000000
D 1
1 0.280000E+01 1.0000000
D 1
1 0.800000E+00 1.0000000
D 1
1 0.157130E+00 1.0000000
F 1
1 0.120000E+01 1.0000000
F 1
1 0.209510E+00 1.0000000
NEON
S 7
1 0.238796E+05 0.590019E-03
2 0.358170E+04 0.454220E-02
3 0.815274E+03 0.235077E-01
4 0.230775E+03 0.908294E-01
5 0.748837E+02 0.267163E+00
6 0.265176E+02 0.500000E+00
7 0.976916E+01 0.409662E+00
S 7
1 0.358170E+04 -0.744150E-05
2 0.815274E+03 -0.132273E-03
3 0.230775E+03 -0.194768E-02
4 0.748837E+02 -0.182530E-01
5 0.265176E+02 -0.937715E-01
6 0.976916E+01 -0.234896E+00
7 0.283050E+01 0.500000E+00
S 1
1 0.107398E+01 1.0000000
S 1
1 0.354000E+00 1.0000000
S 1
1 0.109500E+00 1.0000000
P 4
1 0.631190E+03 0.984246E-03
2 0.971062E+02 0.195960E-01
3 0.225433E+02 0.138509E+00
4 0.681727E+01 0.500000E+00
P 1
1 0.232630E+01 1.0000000
P 1
1 0.774247E+00 1.0000000
P 1
1 0.230256E+00 1.0000000
P 1
1 0.646200E-01 1.0000000
D 1
1 0.300000E+01 1.0000000
D 1
1 0.850000E+00 1.0000000
D 1
1 0.193900E+00 1.0000000
F 1
1 0.130000E+01 1.0000000
F 1
1 0.258500E+00 1.0000000
SODIUM
S 9
1 0.644739E+05 0.230178E-03
2 0.966748E+04 0.179207E-02
3 0.220077E+04 0.927443E-02
4 0.623256E+03 0.381707E-01
5 0.203120E+03 0.123693E+00
6 0.729438E+02 0.314243E+00
7 0.280255E+02 0.500000E+00
8 0.110550E+02 0.358015E+00
9 0.354896E+01 0.480044E-01
S 9
1 0.966748E+04 -0.309780E-05
2 0.220077E+04 0.176885E-04
3 0.623256E+03 0.281267E-04
4 0.203120E+03 0.166608E-02
5 0.729438E+02 0.894300E-02
6 0.280255E+02 0.457422E-01
7 0.110550E+02 0.815451E-01
8 0.354896E+01 -0.171736E+00
9 0.140816E+01 -0.500000E+00
S 9
1 0.220077E+04 0.685030E-05
2 0.623256E+03 0.861772E-04
3 0.203120E+03 0.953744E-03
4 0.729438E+02 0.702381E-02
5 0.280255E+02 0.288650E-01
6 0.110550E+02 0.648471E-01
7 0.354896E+01 -0.153152E+00
8 0.140816E+01 -0.436417E+00
9 0.511479E+00 -0.500000E+00
S 1
1 0.695344E-01 1.0000000
S 1
1 0.251195E-01 1.0000000
S 1
1 0.846300E-02 1.0000000
P 5
1 0.149843E+04 0.279891E-03
2 0.230527E+03 0.523172E-02
3 0.542009E+02 0.446012E-01
4 0.174015E+02 0.174601E+00
5 0.631522E+01 0.500000E+00
P 1
1 0.240844E+01 1.0000000
P 1
1 0.902490E+00 1.0000000
P 1
1 0.314501E+00 1.0000000
P 1
1 0.121000E+00 1.0000000
P 1
1 0.390000E-01 1.0000000
P 1
1 0.130000E-01 1.0000000
D 1
1 0.240000E+00 1.0000000
D 1
1 0.338500E-01 1.0000000
MAGNESIUM
S 9
1 0.810166E+05 0.217832E-03
2 0.121433E+05 0.169620E-02
3 0.276375E+04 0.879091E-02
4 0.782577E+03 0.362272E-01
5 0.255029E+03 0.118319E+00
6 0.916225E+02 0.304244E+00
7 0.352449E+02 0.500000E+00
8 0.139598E+02 0.379867E+00
9 0.474215E+01 0.588890E-01
S 9
1 0.121433E+05 -0.217030E-05
2 0.276375E+04 0.155207E-04
3 0.782577E+03 0.591224E-04
4 0.255029E+03 0.161497E-02
5 0.916225E+02 0.962052E-02
6 0.352449E+02 0.474339E-01
7 0.139598E+02 0.939937E-01
8 0.474215E+01 -0.141704E+00
9 0.192836E+01 -0.500000E+00
S 9
1 0.276375E+04 0.664740E-05
2 0.782577E+03 0.839931E-04
3 0.255029E+03 0.936362E-03
4 0.916225E+02 0.695952E-02
5 0.352449E+02 0.297588E-01
6 0.139598E+02 0.701892E-01
7 0.474215E+01 -0.121068E+00
8 0.192836E+01 -0.471298E+00
9 0.724242E+00 -0.500000E+00
S 1
1 0.123530E+00 1.0000000
S 1
1 0.430322E-01 1.0000000
S 1
1 0.140100E-01 1.0000000
P 5
1 0.200883E+04 0.257503E-03
2 0.309051E+03 0.482067E-02
3 0.728942E+02 0.415711E-01
4 0.234937E+02 0.170318E+00
5 0.856186E+01 0.500000E+00
P 1
1 0.330675E+01 1.0000000
P 1
1 0.126937E+01 1.0000000
P 1
1 0.461062E+00 1.0000000
P 1
1 0.177000E+00 1.0000000
P 1
1 0.570000E-01 1.0000000
P 1
1 0.190000E-01 1.0000000
D 1
1 0.300000E+00 1.0000000
D 1
1 0.560500E-01 1.0000000
ALUMINUM
S 9
1 0.997406E+05 0.208021E-03
2 0.149488E+05 0.161928E-02
3 0.340254E+04 0.840014E-02
4 0.963526E+03 0.346440E-01
5 0.314045E+03 0.113877E+00
6 0.112883E+03 0.295876E+00
7 0.434736E+02 0.500000E+00
8 0.172917E+02 0.399983E+00
9 0.616220E+01 0.697180E-01
S 9
1 0.149488E+05 -0.181490E-05
2 0.340254E+04 0.141366E-04
3 0.963526E+03 0.645715E-04
4 0.314045E+03 0.152778E-02
5 0.112883E+03 0.941284E-02
6 0.434736E+02 0.470079E-01
7 0.172917E+02 0.983329E-01
8 0.616220E+01 -0.106044E+00
9 0.252257E+01 -0.500000E+00
S 9
1 0.340254E+04 0.712620E-05
2 0.963526E+03 0.901101E-04
3 0.314045E+03 0.101070E-02
4 0.112883E+03 0.755483E-02
5 0.434736E+02 0.333111E-01
6 0.172917E+02 0.809502E-01
7 0.616220E+01 -0.101393E+00
8 0.252257E+01 -0.500000E+00
9 0.968742E+00 -0.447602E+00
S 1
1 0.192507E+00 1.0000000
S 1
1 0.678131E-01 1.0000000
S 1
1 0.223100E-01 1.0000000
P 6
1 0.376812E+04 -0.195405E-04
2 0.579711E+03 0.317316E-03
3 0.137542E+03 -0.188309E-02
4 0.440670E+02 0.208458E-01
5 0.161481E+02 0.106091E-01
6 0.648883E+01 0.500000E+00
P 6
1 0.579711E+03 -0.555188E-03
2 0.137542E+03 -0.114134E-02
3 0.440670E+02 -0.299171E-01
4 0.161481E+02 -0.500559E-01
5 0.648883E+01 -0.500000E+00
6 0.266323E+01 -0.123451E+00
P 1
1 0.107925E+01 1.0000000
P 1
1 0.397715E+00 1.0000000
P 1
1 0.134753E+00 1.0000000
P 1
1 0.421854E-01 1.0000000
P 1
1 0.124300E-01 1.0000000
D 1
1 0.147000E+01 1.0000000
D 1
1 0.330000E+00 1.0000000
D 1
1 0.372900E-01 1.0000000
F 1
1 0.480000E+00 1.0000000
F 1
1 0.497200E-01 1.0000000
SILICON
S 9
1 0.120036E+06 0.201079E-03
2 0.179906E+05 0.156484E-02
3 0.409483E+04 0.812463E-02
4 0.115961E+04 0.335240E-01
5 0.378002E+03 0.110731E+00
6 0.135934E+03 0.289892E+00
7 0.524107E+02 0.500000E+00
8 0.209268E+02 0.415712E+00
9 0.771301E+01 0.792337E-01
S 9
1 0.179906E+05 -0.156040E-05
2 0.409483E+04 0.132890E-04
3 0.115961E+04 0.699323E-04
4 0.378002E+03 0.148302E-02
5 0.135934E+03 0.938236E-02
6 0.524107E+02 0.472549E-01
7 0.209268E+02 0.102703E+00
8 0.771301E+01 -0.842933E-01
9 0.316043E+01 -0.500000E+00
S 9
1 0.409483E+04 0.705100E-05
2 0.115961E+04 0.892464E-04
3 0.378002E+03 0.100618E-02
4 0.135934E+03 0.754783E-02
5 0.524107E+02 0.341019E-01
6 0.209268E+02 0.846792E-01
7 0.771301E+01 -0.820800E-01
8 0.316043E+01 -0.500000E+00
9 0.123483E+01 -0.404420E+00
S 1
1 0.267752E+00 1.0000000
S 1
1 0.940670E-01 1.0000000
S 1
1 0.308780E-01 1.0000000
P 6
1 0.440132E+04 -0.779286E-04
2 0.677127E+03 -0.855123E-03
3 0.160671E+03 -0.112309E-01
4 0.515846E+02 -0.224553E-01
5 0.189478E+02 -0.693974E-01
6 0.761629E+01 0.500000E+00
P 6
1 0.677127E+03 -0.317915E-03
2 0.160671E+03 -0.100461E-02
3 0.515846E+02 -0.215075E-01
4 0.189478E+02 -0.711949E-01
5 0.761629E+01 -0.500000E+00
6 0.313171E+01 -0.314224E+00
P 1
1 0.127035E+01 1.0000000
P 1
1 0.433319E+00 1.0000000
P 1
1 0.160882E+00 1.0000000
P 1
1 0.548828E-01 1.0000000
P 1
1 0.175270E-01 1.0000000
D 1
1 0.168000E+01 1.0000000
D 1
1 0.380000E+00 1.0000000
D 1
1 0.525800E-01 1.0000000
F 1
1 0.540000E+00 1.0000000
F 1
1 0.701070E-01 1.0000000
PHOSPHORUS
S 9
1 0.145684E+06 0.191444E-03
2 0.218357E+05 0.148940E-02
3 0.496987E+04 0.774149E-02
4 0.140734E+04 0.319786E-01
5 0.458776E+03 0.106314E+00
6 0.165076E+03 0.281316E+00
7 0.637443E+02 0.500000E+00
8 0.255982E+02 0.439493E+00
9 0.993071E+01 0.963156E-01
S 9
1 0.218357E+05 0.111870E-05
2 0.496987E+04 -0.116112E-04
3 0.140734E+04 -0.769199E-04
4 0.458776E+03 -0.137039E-02
5 0.165076E+03 -0.910981E-02
6 0.637443E+02 -0.458545E-01
7 0.255982E+02 -0.107244E+00
8 0.993071E+01 0.535411E-01
9 0.396858E+01 0.500000E+00
S 9
1 0.496987E+04 -0.701610E-05
2 0.140734E+04 -0.891459E-04
3 0.458776E+03 -0.100858E-02
4 0.165076E+03 -0.763517E-02
5 0.637443E+02 -0.354022E-01
6 0.255982E+02 -0.914472E-01
7 0.993071E+01 0.544950E-01
8 0.396858E+01 0.500000E+00
9 0.155647E+01 0.329157E+00
S 1
1 0.354039E+00 1.0000000
S 1
1 0.123939E+00 1.0000000
S 1
1 0.405480E-01 1.0000000
P 6
1 0.537048E+04 -0.111868E-03
2 0.826228E+03 -0.154193E-02
3 0.196023E+03 -0.168501E-01
4 0.629511E+02 -0.496087E-01
5 0.232219E+02 -0.129538E+00
6 0.938850E+01 0.500000E+00
P 6
1 0.826228E+03 -0.241791E-03
2 0.196023E+03 -0.927218E-03
3 0.629511E+02 -0.185004E-01
4 0.232219E+02 -0.743580E-01
5 0.938850E+01 -0.500000E+00
6 0.389968E+01 -0.392576E+00
P 1
1 0.160483E+01 1.0000000
P 1
1 0.560532E+00 1.0000000
P 1
1 0.211746E+00 1.0000000
P 1
1 0.734856E-01 1.0000000
P 1
1 0.238480E-01 1.0000000
D 1
1 0.189000E+01 1.0000000
D 1
1 0.430000E+00 1.0000000
D 1
1 0.715430E-01 1.0000000
F 1
1 0.600000E+00 1.0000000
F 1
1 0.953900E-01 1.0000000
SULFUR
S 9
1 0.172031E+06 0.185619E-03
2 0.257828E+05 0.144386E-02
3 0.586816E+04 0.751032E-02
4 0.166173E+04 0.310398E-01
5 0.541749E+03 0.103632E+00
6 0.195015E+03 0.276107E+00
7 0.753959E+02 0.500000E+00
8 0.304065E+02 0.455450E+00
9 0.121210E+02 0.109368E+00
S 8
1 0.586816E+04 -0.106481E-04
2 0.166173E+04 -0.826710E-04
3 0.541749E+03 -0.131404E-02
4 0.195015E+03 -0.903122E-02
5 0.753959E+02 -0.454547E-01
6 0.304065E+02 -0.110873E+00
7 0.121210E+02 0.376122E-01
8 0.477769E+01 0.500000E+00
S 9
1 0.586816E+04 -0.706280E-05
2 0.166173E+04 -0.898458E-04
3 0.541749E+03 -0.102052E-02
4 0.195015E+03 -0.775326E-02
5 0.753959E+02 -0.366534E-01
6 0.304065E+02 -0.965131E-01
7 0.121210E+02 0.394512E-01
8 0.477769E+01 0.500000E+00
9 0.189064E+01 0.273580E+00
S 1
1 0.446857E+00 1.0000000
S 1
1 0.156208E+00 1.0000000
S 1
1 0.510370E-01 1.0000000
P 6
1 0.629281E+04 0.182965E-03
2 0.968124E+03 0.290294E-02
3 0.229696E+03 0.285030E-01
4 0.738332E+02 0.100709E+00
5 0.273117E+02 0.252699E+00
6 0.110740E+02 -0.500000E+00
P 6
1 0.968124E+03 -0.177108E-03
2 0.229696E+03 -0.855858E-03
3 0.738332E+02 -0.164472E-01
4 0.273117E+02 -0.781210E-01
5 0.110740E+02 -0.500000E+00
6 0.463067E+01 -0.472645E+00
P 1
1 0.192993E+01 1.0000000
P 1
1 0.687828E+00 1.0000000
P 1
1 0.256627E+00 1.0000000
P 1
1 0.872507E-01 1.0000000
P 1
1 0.277760E-01 1.0000000
D 1
1 0.210000E+01 1.0000000
D 1
1 0.480000E+00 1.0000000
D 1
1 0.833270E-01 1.0000000
F 1
1 0.660000E+00 1.0000000
F 1
1 0.111100E+00 1.0000000
CHLORINE
S 9
1 0.201154E+06 0.180460E-03
2 0.301463E+05 0.140353E-02
3 0.686097E+04 0.730591E-02
4 0.194281E+04 0.302110E-01
5 0.633417E+03 0.101252E+00
6 0.228102E+03 0.271457E+00
7 0.882880E+02 0.500000E+00
8 0.357500E+02 0.470550E+00
9 0.145706E+02 0.123127E+00
S 8
1 0.686097E+04 0.941350E-05
2 0.194281E+04 0.939655E-04
3 0.633417E+03 0.125637E-02
4 0.228102E+03 0.909668E-02
5 0.882880E+02 0.450903E-01
6 0.357500E+02 0.115554E+00
7 0.145706E+02 -0.257069E-01
8 0.565799E+01 -0.500000E+00
S 9
1 0.686097E+04 0.741280E-05
2 0.194281E+04 0.944689E-04
3 0.633417E+03 0.107671E-02
4 0.228102E+03 0.820189E-02
5 0.882880E+02 0.394185E-01
6 0.357500E+02 0.105145E+00
7 0.145706E+02 -0.268453E-01
8 0.565799E+01 -0.500000E+00
9 0.225543E+01 -0.173770E+00
S 1
1 0.549472E+00 1.0000000
S 1
1 0.191260E+00 1.0000000
S 1
1 0.622410E-01 1.0000000
P 6
1 0.734431E+04 0.260986E-03
2 0.112989E+04 0.441423E-02
3 0.268065E+03 0.414276E-01
4 0.862217E+02 0.158496E+00
5 0.319790E+02 0.394734E+00
6 0.130083E+02 -0.500000E+00
P 6
1 0.112989E+04 -0.129607E-03
2 0.268065E+03 -0.763201E-03
3 0.862217E+02 -0.143060E-01
4 0.319790E+02 -0.758995E-01
5 0.130083E+02 -0.475811E+00
6 0.547663E+01 -0.500000E+00
P 1
1 0.230897E+01 1.0000000
P 1
1 0.846008E+00 1.0000000
P 1
1 0.316591E+00 1.0000000
P 1
1 0.107157E+00 1.0000000
P 1
1 0.339700E-01 1.0000000
D 1
1 0.231000E+01 1.0000000
D 1
1 0.520000E+00 1.0000000
D 1
1 0.101910E+00 1.0000000
F 1
1 0.720000E+00 1.0000000
F 1
1 0.135880E+00 1.0000000
ARGON
S 9
1 0.232509E+06 0.176253E-03
2 0.348444E+05 0.137058E-02
3 0.793034E+04 0.713824E-02
4 0.224569E+04 0.295287E-01
5 0.732218E+03 0.992843E-01
6 0.263770E+03 0.267608E+00
7 0.102195E+03 0.500000E+00
8 0.415255E+02 0.483815E+00
9 0.172018E+02 0.136182E+00
S 8
1 0.793034E+04 0.807240E-05
2 0.224569E+04 0.109914E-03
3 0.732218E+03 0.120473E-02
4 0.263770E+03 0.931026E-02
5 0.102195E+03 0.449257E-01
6 0.415255E+02 0.121198E+00
7 0.172018E+02 -0.176850E-01
8 0.659673E+01 -0.500000E+00
S 9
1 0.793034E+04 0.885250E-05
2 0.224569E+04 0.112359E-03
3 0.732218E+03 0.128596E-02
4 0.263770E+03 0.979058E-02
5 0.102195E+03 0.476512E-01
6 0.415255E+02 0.126905E+00
7 0.172018E+02 -0.173836E-01
8 0.659673E+01 -0.500000E+00
9 0.264773E+01 0.817056E-01
S 1
1 0.661927E+00 1.0000000
S 1
1 0.229008E+00 1.0000000
S 1
1 0.741100E-01 1.0000000
P 6
1 0.843481E+04 0.312243E-03
2 0.129766E+04 0.564509E-02
3 0.307863E+03 0.503859E-01
4 0.990961E+02 0.208129E+00
5 0.368369E+02 0.500000E+00
6 0.150266E+02 -0.364782E+00
P 6
1 0.129766E+04 -0.692065E-04
2 0.307863E+03 -0.644476E-03
3 0.990961E+02 -0.112628E-01
4 0.368369E+02 -0.720194E-01
5 0.150266E+02 -0.432779E+00
6 0.636619E+01 -0.500000E+00
P 1
1 0.271095E+01 1.0000000
P 1
1 0.101824E+01 1.0000000
P 1
1 0.382742E+00 1.0000000
P 1
1 0.129456E+00 1.0000000
P 1
1 0.410100E-01 1.0000000
D 1
1 0.252000E+01 1.0000000
D 1
1 0.570000E+00 1.0000000
D 1
1 0.123000E+00 1.0000000
F 1
1 0.780000E+00 1.0000000
F 1
1 0.164000E+00 1.0000000

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