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00_README.rst
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basis
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2020-01-17 13:57:03 +01:00 |
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3-21++g
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basis
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2020-01-17 13:57:03 +01:00 |
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3-21++g_star
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basis
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2020-01-17 13:57:03 +01:00 |
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3-21g
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basis
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2020-01-17 13:57:03 +01:00 |
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3-21g_star
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basis
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2020-01-17 13:57:03 +01:00 |
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3-21gsp
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basis
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2020-01-17 13:57:03 +01:00 |
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4-22gsp
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basis
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2020-01-17 13:57:03 +01:00 |
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4-31g
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basis
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2020-01-17 13:57:03 +01:00 |
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5zp
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basis
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2020-01-17 13:57:03 +01:00 |
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6-31++g
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basis
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2020-01-17 13:57:03 +01:00 |
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6-31++g_star
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basis
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2020-01-17 13:57:03 +01:00 |
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6-31++g_star_star
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basis
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2020-01-17 13:57:03 +01:00 |
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6-31+g
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basis
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2020-01-17 13:57:03 +01:00 |
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6-31+g_star
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basis
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2020-01-17 13:57:03 +01:00 |
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6-31g
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basis
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2020-01-17 13:57:03 +01:00 |
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6-31g-Blaudeau
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basis
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2020-01-17 13:57:03 +01:00 |
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6-31g_3df_3pd
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basis
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2020-01-17 13:57:03 +01:00 |
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6-31g_star
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basis
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2020-01-17 13:57:03 +01:00 |
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6-31g_star-Blaudeau
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basis
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2020-01-17 13:57:03 +01:00 |
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6-31g_star_star
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basis
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2020-01-17 13:57:03 +01:00 |
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6-311++g_2d_2p
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basis
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2020-01-17 13:57:03 +01:00 |
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6-311++g_3df_3pd
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basis
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2020-01-17 13:57:03 +01:00 |
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6-311++g_star_star
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basis
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2020-01-17 13:57:03 +01:00 |
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6-311+g_star
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basis
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2020-01-17 13:57:03 +01:00 |
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6-311G_star
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basis
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2020-01-17 13:57:03 +01:00 |
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6-311G_star_star
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basis
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2020-01-17 13:57:03 +01:00 |
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6-311g
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basis
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2020-01-17 13:57:03 +01:00 |
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6-311g_2df_2pd
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basis
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2020-01-17 13:57:03 +01:00 |
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6zp
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basis
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2020-01-17 13:57:03 +01:00 |
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ano-pvdz_ecp_bfd
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basis
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2020-01-17 13:57:03 +01:00 |
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ano-pvqz_ecp_bfd
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basis
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2020-01-17 13:57:03 +01:00 |
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ano-pvtz_ecp_bfd
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basis
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2020-01-17 13:57:03 +01:00 |
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ano-rcc
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basis
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2020-01-17 13:57:03 +01:00 |
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ano2_ames
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basis
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2020-01-17 13:57:03 +01:00 |
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ano_ames
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basis
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2020-01-17 13:57:03 +01:00 |
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ano_bauschlicher
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basis
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2020-01-17 13:57:03 +01:00 |
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apr-cc-pv_q+d_z
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-5zp
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-ano-pvdz_roos
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-ano-pvtz_roos
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-cc-pcv5z
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-cc-pcv_t+d_z
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-cc-pcvdz
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-cc-pcvqz
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-cc-pcvtz
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-cc-pv5z
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-cc-pv5z-pp
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-cc-pv5z_ecp_bfd
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-cc-pv5z_ecp_ncsu
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-cc-pv6z
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-cc-pv_5+d_z
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-cc-pv_6+d_z
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-cc-pv_d+d_z
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-cc-pv_q+d_z
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-cc-pv_t+d_z
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-cc-pvdz
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-cc-pvdz-pp
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-cc-pvdz_ecp_bfd
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-cc-pvdz_ecp_ncsu
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-cc-pvqz
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-cc-pvqz-nr
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-cc-pvqz-pp
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-cc-pvqz_ecp_bfd
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-cc-pvqz_ecp_ncsu
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-cc-pvqz_sbd
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-cc-pvtz
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unrestricted ACFDT
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2020-10-07 18:26:24 +02:00 |
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aug-cc-pvtz-nr
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-cc-pvtz-pp
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-cc-pvtz_ecp_bfd
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-cc-pvtz_ecp_ncsu
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-cc-pvtz_sbd
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-cc-pwcv5z
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-cc-pwcv5z-nr
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-cc-pwcvdz
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-cc-pwcvqz
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-cc-pwcvqz-nr
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-cc-pwcvtz
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-cc-pwcvtz-nr
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-dzp
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-mcc-pv8z
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clean up
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2020-10-06 14:28:52 +02:00 |
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aug-pc-0
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-pc-1
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-pc-2
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-pc-3
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-pc-4
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-pcS-0
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-pcS-1
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-pcj-0
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-pcj-0_2006
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-pcj-1
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-pcj-1_2006
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-pcj-2
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-pcj-2_2006
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-pcj-3
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-pcj-3_2006
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-pcj-4
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-pcj-4_2006
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-pcs-2
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-pcs-3
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-pcs-4
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-pcseg-0
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-pcseg-1
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-pcseg-2
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-pcseg-3
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-pcseg-4
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-pcsseg-0
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-pcsseg-1
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-pcsseg-2
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-pcsseg-3
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-pcsseg-4
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-pv7z
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-qzp
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basis
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2020-01-17 13:57:03 +01:00 |
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aug-tzp
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pcv5z
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pcv5z0
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pcv5z_ames
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pcv6z
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pcvdz
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pcvqz
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pcvqz_ames
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pcvtz
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pcvtz_ames
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pv5z
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pv5z-nr
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pv5z-pp
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pv5z_ames
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pv5z_ecp_bfd
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pv5z_ecp_ncsu
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pv6z
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pv8z
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pv9z
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pv_5+d_z
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pv_6+d_z
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pv_d+d_z
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pv_q+d_z
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pv_t+d_z
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pv_t+d_z+
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pvdz
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pvdz-pp
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pvdz_ecp_bfd
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pvdz_ecp_ncsu
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pvqz
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pvqz-nr
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pvqz-pp
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pvqz_ames
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pvqz_ecp_bfd
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pvqz_ecp_ncsu
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pvqz_sdb
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pvtz
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pvtz+
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pvtz-nr
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pvtz-pp
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pvtz_ames
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pvtz_ecp_bfd
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pvtz_ecp_ncsu
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pvtz_sdb
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pwcv5z
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basis
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2020-01-17 13:57:03 +01:00 |
|
cc-pwcv5z-nr
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pwcv5z-pp
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pwcvdz
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pwcvdz-pp
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pwcvqz
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pwcvqz-nr
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pwcvqz-pp
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pwcvtz
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basis
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2020-01-17 13:57:03 +01:00 |
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cc-pwcvtz-nr
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basis
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2020-01-17 13:57:03 +01:00 |
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chipman-dzp
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basis
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2020-01-17 13:57:03 +01:00 |
|
chipman-dzp+diffuse
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basis
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2020-01-17 13:57:03 +01:00 |
|
d-aug-cc-pv5z
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basis
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2020-01-17 13:57:03 +01:00 |
|
d-aug-cc-pv6z
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basis
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2020-01-17 13:57:03 +01:00 |
|
d-aug-cc-pvdz
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basis
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2020-01-17 13:57:03 +01:00 |
|
d-aug-cc-pvqz
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basis
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2020-01-17 13:57:03 +01:00 |
|
d-aug-cc-pvtz
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basis
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2020-01-17 13:57:03 +01:00 |
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def2-qzvp
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basis
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2020-01-17 13:57:03 +01:00 |
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def2-qzvpd
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basis
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2020-01-17 13:57:03 +01:00 |
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def2-qzvpp
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basis
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2020-01-17 13:57:03 +01:00 |
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def2-qzvppd
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basis
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2020-01-17 13:57:03 +01:00 |
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def2-sv_p
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basis
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2020-01-17 13:57:03 +01:00 |
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def2-svp
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basis
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2020-01-17 13:57:03 +01:00 |
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def2-svpd
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basis
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2020-01-17 13:57:03 +01:00 |
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def2-tzvp
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basis
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2020-01-17 13:57:03 +01:00 |
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def2-tzvpd
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basis
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2020-01-17 13:57:03 +01:00 |
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def2-tzvpp
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basis
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2020-01-17 13:57:03 +01:00 |
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def2-tzvppd
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basis
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2020-01-17 13:57:03 +01:00 |
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dunning_tz
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basis
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2020-01-17 13:57:03 +01:00 |
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dz_dunning
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basis
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2020-01-17 13:57:03 +01:00 |
|
dz_dunning-hay
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basis
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2020-01-17 13:57:03 +01:00 |
|
dzp
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basis
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2020-01-17 13:57:03 +01:00 |
|
dzp_dunning
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basis
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2020-01-17 13:57:03 +01:00 |
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dzpd_dunning
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basis
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2020-01-17 13:57:03 +01:00 |
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dzpr_dunning
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basis
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2020-01-17 13:57:03 +01:00 |
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dzq
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basis
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2020-01-17 13:57:03 +01:00 |
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dzr_dunning
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basis
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2020-01-17 13:57:03 +01:00 |
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dzvp
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basis
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2020-01-17 13:57:03 +01:00 |
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dzvp2
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basis
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2020-01-17 13:57:03 +01:00 |
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ecp10mdf
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basis
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2020-01-17 13:57:03 +01:00 |
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ecp60mdf
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basis
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2020-01-17 13:57:03 +01:00 |
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iglo-ii
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basis
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2020-01-17 13:57:03 +01:00 |
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iglo-iii
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basis
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2020-01-17 13:57:03 +01:00 |
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jul-cc-pv_d+d_z
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basis
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2020-01-17 13:57:03 +01:00 |
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jul-cc-pv_q+d_z
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basis
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2020-01-17 13:57:03 +01:00 |
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jul-cc-pv_t+d_z
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basis
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2020-01-17 13:57:03 +01:00 |
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jun-cc-pv_d+d_z
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basis
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2020-01-17 13:57:03 +01:00 |
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jun-cc-pv_q+d_z
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basis
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2020-01-17 13:57:03 +01:00 |
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jun-cc-pv_t+d_z
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basis
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2020-01-17 13:57:03 +01:00 |
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lanl2dz_ecp
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basis
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2020-01-17 13:57:03 +01:00 |
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lanl2dz_mod
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basis
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2020-01-17 13:57:03 +01:00 |
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lanl2dzdp_ecp
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basis
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2020-01-17 13:57:03 +01:00 |
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lanl2tz
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basis
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2020-01-17 13:57:03 +01:00 |
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lanl2tz+
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basis
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2020-01-17 13:57:03 +01:00 |
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lanl2tzf
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basis
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2020-01-17 13:57:03 +01:00 |
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lanl08
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basis
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2020-01-17 13:57:03 +01:00 |
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lanl08+
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basis
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2020-01-17 13:57:03 +01:00 |
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lanl08d
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basis
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2020-01-17 13:57:03 +01:00 |
|
lanl08f
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
m6-31g
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
maug-cc-pv_d+d_z
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
maug-cc-pv_q+d_z
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
maug-cc-pv_t+d_z
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
maug-cc-pvdz
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
maug-cc-pvqz
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
maug-cc-pvtz
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
may-cc-pv_q+d_z
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
may-cc-pv_t+d_z
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
mb_ecp_hay-wadt
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
mg3s
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
midi_bang
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
midi_huzinaga
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
mini
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
mini_huzinaga
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
pv6z
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
pv7z
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
pvdz_ahlrichs
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
pvtz_gamess
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
pvtz_sadlej
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
qzp
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
rlc_ecp_stuttgart
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
rsc_ano_ecp_stuttgart
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
rsc_ecp_stuttgart
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
sadlej+
|
clean up
|
2020-10-06 14:28:52 +02:00 |
|
sbkjc_p_2d
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
sto-2g
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
sto-3g
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
sto-3g_star
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
sto-6g_star
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
sv_binning-curtiss
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
sv_dunning-hay
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
svp_binning-curtiss
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
svp_dunning-hay
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
svpd_dunning-hay
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
svpdr
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
svpr_dunning-hay
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
svr_dunning-hay
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
svrr_dunning-hay
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
tzp
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
tzv_ahlrichs
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
tzvp
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
ugbs
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
uncontracted_1_partridge
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
uncontracted_2_partridge
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
uncontracted_3_partridge
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
uncontracted_4_partridge
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
vdz_ahlrichs
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
vdz_ecp_hay-wadt
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
vdz_sbkjc_ecp
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
vtz_ahlrichs
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
vtz_binning-curtiss
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
vtz_gamess
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
vtz_mclean-chandler
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
vtzp_binning-curtiss
|
basis
|
2020-01-17 13:57:03 +01:00 |
|
wachters+f
|
basis
|
2020-01-17 13:57:03 +01:00 |
Pierre-Francois Loos
efbe27068e