PRAGMA foreign_keys=OFF; BEGIN TRANSACTION; CREATE TABLE basis_tab( basis_id INTEGER PRIMARY KEY AUTOINCREMENT, name text, description text, UNIQUE(name) ); INSERT INTO "basis_tab" VALUES(1,'3-21G* Polarization','1P Polarization functions from 3-21G*'); INSERT INTO "basis_tab" VALUES(2,'4-22GSP','VDZD Valence Double Zeta'); INSERT INTO "basis_tab" VALUES(3,'3-21++G*','VDZD Valence Double Zeta + Diffuse Functions + Polarization'); INSERT INTO "basis_tab" VALUES(4,'3-21G*','VDZP Valence Double Zeta + Polarization on Second Row Atoms'); INSERT INTO "basis_tab" VALUES(5,'3-21GSP','VDZD Valence Double Zeta'); INSERT INTO "basis_tab" VALUES(6,'3-21++G','VDZD Valence Double Zeta + Diffuse Functions on All Atoms'); INSERT INTO "basis_tab" VALUES(7,'3-21G','VDZ Valence Double Zeta: 2 Funct.''s/Valence AO'); INSERT INTO "basis_tab" VALUES(8,'5ZP','All-electron 5 zeta plus polarization functions.'); INSERT INTO "basis_tab" VALUES(9,'5ZP-DKH','All-electron 5 zeta valence quality plus polarization functions'); INSERT INTO "basis_tab" VALUES(10,'6-31++G','VDZD Valence Double Zeta + Diffuse Functions on All Atoms'); INSERT INTO "basis_tab" VALUES(11,'6-31++G*','VDZD Valence Double Zeta + Diffuse Functions on All Atoms'); INSERT INTO "basis_tab" VALUES(12,'6-31++G**','VDZPD Valence Double Zeta + Diffuse and Polarization Functions'); INSERT INTO "basis_tab" VALUES(13,'6-31+G*','VDZPD Valence Double Zeta + Polarization (Li-Ar)'); INSERT INTO "basis_tab" VALUES(14,'4-31G','VDZ Valence Double Zeta: 2 Funct.''s/Valence AO'); INSERT INTO "basis_tab" VALUES(15,'6-311++G(2d,2p)','VTZ2PD Valence Triple Zeta + Double Polar. + Diffuse on All Atoms'); INSERT INTO "basis_tab" VALUES(16,'6-311++G(3df,3pd)','VTZ3PD Valence Triple Zeta + Triple Polar. + Diffuse on All Atoms'); INSERT INTO "basis_tab" VALUES(17,'6-311++G**','VTZPD Valence Triple Zeta + Polarization + Diffuse on All Atoms'); INSERT INTO "basis_tab" VALUES(18,'6-311G(2df,2pd)','VTZ2P Valence Triple Zeta + Double Polarization'); INSERT INTO "basis_tab" VALUES(19,'6-311+G*','VTZPD Valence Triple Zeta + Polarization + Diffuse on Heavy Atoms'); INSERT INTO "basis_tab" VALUES(20,'6-311G','VTZ Valence Triple Zeta: 3 Funct.''s/Valence AO'); INSERT INTO "basis_tab" VALUES(21,'6-311G* Polarization','1P Polarization functions associated with 6-311G'); INSERT INTO "basis_tab" VALUES(22,'6-311G*','VTZP Valence Triple Zeta + Polarization on Nonhydrogen'); INSERT INTO "basis_tab" VALUES(23,'6-311G** Polarization','1P Polarization functions associated with 6-311G'); INSERT INTO "basis_tab" VALUES(24,'6-311G**','VTZP Valence Triple Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(25,'6-31G* Polarization','1P Polarization functions associated with 6-31G'); INSERT INTO "basis_tab" VALUES(26,'6-31G','VDZ Valence Double Zeta: 2 Funct.''s/Valence AO'); INSERT INTO "basis_tab" VALUES(27,'6-31G(3df,3pd)','VDZ3P Valence Double Zeta + Triple Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(28,'6-31G*','VDZP Valence Double Zeta + Polarization (Li-Ar)'); INSERT INTO "basis_tab" VALUES(29,'6-31G**','VDZP Valence Double Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(30,'6-31G** Polarization','1P Polarization functions associated with 6-31G'); INSERT INTO "basis_tab" VALUES(31,'6-31G*-Blaudeau','VDZP Valence Double Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(32,'6-31G-Blaudeau','VDZ Valence Double Zeta: 2 Funct.''s/Valence AO'); INSERT INTO "basis_tab" VALUES(33,'6ZP','All-electron 6 zeta plus polarization functions'); INSERT INTO "basis_tab" VALUES(34,'6ZP-DKH','All-electron 6 zeta valence quality plus polarization functions'); INSERT INTO "basis_tab" VALUES(35,'A5ZP','All-electron augmented 5ZP.'); INSERT INTO "basis_tab" VALUES(36,'ADZP','All-electron augmented DZP.'); INSERT INTO "basis_tab" VALUES(37,'Ahlrichs Polarization','1P Polarization functions'); INSERT INTO "basis_tab" VALUES(38,'ATZP','All-electron augmented TZP.'); INSERT INTO "basis_tab" VALUES(39,'AQZP','All-electron augmented QZP.'); INSERT INTO "basis_tab" VALUES(40,'Ahlrichs TZV','VTZ Valence Triple Zeta: 3 Funct.''s/Valence AO'); INSERT INTO "basis_tab" VALUES(41,'Ahlrichs Coulomb Fitting','DFT Coulomb Fitting'); INSERT INTO "basis_tab" VALUES(42,'Ahlrichs VDZ','VDZ Valence Double Zeta: 2 Funct.''s/Valence AO'); INSERT INTO "basis_tab" VALUES(43,'Ahlrichs VTZ','VTZ Valence Triple Zeta: 3 Funct.''s/Valence AO'); INSERT INTO "basis_tab" VALUES(44,'B2 basis set for Zn','N/A'); INSERT INTO "basis_tab" VALUES(45,'Ahlrichs pVDZ','VDZP Valence Double Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(46,'Binning-Curtiss (1d) Polarization','1P Polarization functions'); INSERT INTO "basis_tab" VALUES(47,'Binning-Curtiss (df) Polarization','2P Polarization functions'); INSERT INTO "basis_tab" VALUES(48,'Binning/Curtiss SV','VDZ Valence Double Zeta: 2 Funct.''s/Valence AO'); INSERT INTO "basis_tab" VALUES(49,'Binning/Curtiss VTZ','VTZ Valence Triple Zeta: 3 Functions/valence AO'); INSERT INTO "basis_tab" VALUES(50,'Binning/Curtiss SVP','VDZP Valence Double Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(51,'Binning/Curtiss VTZP','VTZP Valence Triple Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(52,'Blaudeau Polarization','1P Polarization functions'); INSERT INTO "basis_tab" VALUES(53,'Bauschlicher ANO','VQZ3P Valence Quadruple zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(54,'Chipman DZP + Diffuse','DZPD Double Zeta + Polarization + Diffuse'); INSERT INTO "basis_tab" VALUES(55,'CVTZ','N/A'); INSERT INTO "basis_tab" VALUES(56,'Core/valence Functions (cc-pCV5Z)','4T Tight functions'); INSERT INTO "basis_tab" VALUES(57,'Cologne DKH2','Lanthanide (23s,16p,12d,6f)/[18s,12p,9d,3f] segmented contracted basis sets optimized for DKH2 calculations (preferably at the HF and/or DFT level)'); INSERT INTO "basis_tab" VALUES(58,'Core/valence Functions (cc-pCV6Z(old))','5T Tight functions'); INSERT INTO "basis_tab" VALUES(59,'ANO-RCC','full ANO-RCC basis, reduce to get MB, VDZP, VTZP and VQZP quality'); INSERT INTO "basis_tab" VALUES(60,'Core/valence Functions (cc-pCV6Z)','5T Tight functions'); INSERT INTO "basis_tab" VALUES(61,'Core/valence Functions (cc-pCVDZ(old))','1T Tight functions'); INSERT INTO "basis_tab" VALUES(62,'Core/valence Functions (cc-pCVDZ)','1T Tight functions'); INSERT INTO "basis_tab" VALUES(63,'Core/valence Functions (cc-pCVQZ(old))','3T Tight functions'); INSERT INTO "basis_tab" VALUES(64,'Core/valence Functions (cc-pCVQZ)','3T Tight functions'); INSERT INTO "basis_tab" VALUES(65,'Core/valence Functions (cc-pCVTZ(old))','2T Tight functions'); INSERT INTO "basis_tab" VALUES(66,'Core/valence Functions (cc-pCVTZ)','2T Tight functions'); INSERT INTO "basis_tab" VALUES(67,'DGauss A1 DFT Exchange Fitting','DFT Exchange Fitting'); INSERT INTO "basis_tab" VALUES(68,'DHMS Polarization','1P Polarization Functions'); INSERT INTO "basis_tab" VALUES(69,'DGauss A1 DFT Coulomb Fitting','DFT Coulomb Fitting'); INSERT INTO "basis_tab" VALUES(70,'DGauss A2 DFT Coulomb Fitting','DFT Coulomb Fitting'); INSERT INTO "basis_tab" VALUES(71,'DGauss A2 DFT Exchange Fitting','DFT Exchange Fitting'); INSERT INTO "basis_tab" VALUES(72,'DZ (Dunning)','DZ Double Zeta: 2 Functions/AO'); INSERT INTO "basis_tab" VALUES(73,'DZ + Rydberg (Dunning)','DZ1R Double Zeta: 2 Functions/AO'); INSERT INTO "basis_tab" VALUES(74,'DZ + Double Rydberg (Dunning-Hay)','DZ2R Double Zeta + Double Rydberg Functions'); INSERT INTO "basis_tab" VALUES(75,'DZP (Dunning)','DZP Double Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(76,'DZP','All-electron double zeta plus polarization functions.'); INSERT INTO "basis_tab" VALUES(77,'DZP + Diffuse (Dunning)','DZPD Double Zeta + Polarization + Diffuse'); INSERT INTO "basis_tab" VALUES(78,'DZP + Rydberg (Dunning)','DZP1R Double Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(79,'DZQ','N/A'); INSERT INTO "basis_tab" VALUES(80,'DZP-DKH','All-electron double zeta valence quality plus polarization functions'); INSERT INTO "basis_tab" VALUES(81,'DeMon Coulomb Fitting','DFT Coulomb Fitting'); INSERT INTO "basis_tab" VALUES(82,'Def2-QZVP','N/A'); INSERT INTO "basis_tab" VALUES(83,'Def2-QZVPD','def2-QZVPD Quadruple-Zeta-Valence basis set + Polarization + Diffuse basis functions'); INSERT INTO "basis_tab" VALUES(84,'Def2-QZVPP','N/A'); INSERT INTO "basis_tab" VALUES(85,'Def2-SV(P)','N/A'); INSERT INTO "basis_tab" VALUES(86,'Def2-QZVPPD','def2-QZVPPD Quadruple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions'); INSERT INTO "basis_tab" VALUES(87,'Def2-SVP','N/A'); INSERT INTO "basis_tab" VALUES(88,'Def2-SVPD','def2-SVPD Split-Valence basis set + Polarization + Diffuse basis functions'); INSERT INTO "basis_tab" VALUES(89,'Def2-TZVP','N/A'); INSERT INTO "basis_tab" VALUES(90,'DZVP2 (DFT Orbital)','VDZP Valence Double Zeta + Polarization designed for DFT'); INSERT INTO "basis_tab" VALUES(91,'Def2-TZVPD','def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions'); INSERT INTO "basis_tab" VALUES(92,'Def2-TZVPP','N/A'); INSERT INTO "basis_tab" VALUES(93,'Def2-TZVPPD','def2-TZVPPD Triple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions'); INSERT INTO "basis_tab" VALUES(94,'Dunning-Hay Diffuse','1D Diffuse Functions'); INSERT INTO "basis_tab" VALUES(95,'Dunning-Hay Double Rydberg','2R Double Rydberg Functions'); INSERT INTO "basis_tab" VALUES(96,'Dunning-Hay Rydberg','1R Rydberg Functions'); INSERT INTO "basis_tab" VALUES(97,'ECP10MDF','N/A'); INSERT INTO "basis_tab" VALUES(98,'ECP60MDF','N/A'); INSERT INTO "basis_tab" VALUES(99,'Feller Misc. CVDZ','DZP Double Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(100,'Feller Misc. CVQZ','QZ3P Quadruple Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(101,'Feller Misc. CVTZ','TZ2P Triple Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(102,'GAMESS PVTZ','VTZP Valence Triple Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(103,'Glendening Polarization','1P Polarization functions'); INSERT INTO "basis_tab" VALUES(104,'GAMESS VTZ','VTZ Valence Triple Zeta: 3 Funct.''s/Valence AO'); INSERT INTO "basis_tab" VALUES(105,'HONDO7 Polarization','1P Polarization functions from HONDO7'); INSERT INTO "basis_tab" VALUES(106,'DZVP (DFT Orbital)','VDZP Valence Double Zeta + Polarization designed for DFT'); INSERT INTO "basis_tab" VALUES(107,'Hay-Wadt MB (n+1) ECP','MB Minimal Basis Set designed for an ECP'); INSERT INTO "basis_tab" VALUES(108,'Huzinaga Polarization','1P Polarization functions'); INSERT INTO "basis_tab" VALUES(109,'IGLO-II','VDZP Valence Double Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(110,'Hay-Wadt VDZ (n+1) ECP','VDZ Valence Double Zeta designed for an ECP'); INSERT INTO "basis_tab" VALUES(111,'IGLO-III','VTZP Valence Triple Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(112,'LANL08','Uncontracted basis set'); INSERT INTO "basis_tab" VALUES(113,'LANL08+','uncontracted basis set + diffuse d function'); INSERT INTO "basis_tab" VALUES(114,'LANL08d','Uncontracted basis + Polarization + Diffuse ECP'); INSERT INTO "basis_tab" VALUES(115,'LANL08(f)','uncontracted basis set + f polarization'); INSERT INTO "basis_tab" VALUES(116,'LANL2DZdp ECP Polarization','1P Polarization Functions'); INSERT INTO "basis_tab" VALUES(117,'LANL2DZ ECP','DZ Double Zeta Basis Set designed for an ECP'); INSERT INTO "basis_tab" VALUES(118,'LANL2DZdp ECP','DZP Double Zeta + Polarization + Diffuse ECP'); INSERT INTO "basis_tab" VALUES(119,'LANL2TZ','N/A'); INSERT INTO "basis_tab" VALUES(120,'LANL2TZ(f)','TZ triple zeta basis set designed for an ECP + f polarization'); INSERT INTO "basis_tab" VALUES(121,'Lanl2-[10s8p7d3f2g]','N/A'); INSERT INTO "basis_tab" VALUES(122,'Lanl2-[5s4p4d2f]','N/A'); INSERT INTO "basis_tab" VALUES(123,'LANL2TZ+','TZ triple zeta basis set designed for an ECP + diffuse d function'); INSERT INTO "basis_tab" VALUES(124,'Lanl2-[6s4p4d2f]','N/A'); INSERT INTO "basis_tab" VALUES(125,'Lanl2DZ+1d1f','Lanl2DZ+1d1f'); INSERT INTO "basis_tab" VALUES(126,'Lanl2DZ+2s2p2d2f','N/A'); INSERT INTO "basis_tab" VALUES(127,'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.'); INSERT INTO "basis_tab" VALUES(128,'MIDI (Huzinaga)','VDZ Valence Double Zeta: 2 Funct.''s/Valence AO'); INSERT INTO "basis_tab" VALUES(129,'MIDI!','VDZP Valence Double Zeta + Polarization on some atoms'); INSERT INTO "basis_tab" VALUES(130,'MINI (Huzinaga)','MB Minimal Basis: 1 Function/AO'); INSERT INTO "basis_tab" VALUES(131,'MINI (Scaled)','MB Minimal Basis: 1 Function/AO'); INSERT INTO "basis_tab" VALUES(132,'McLean/Chandler VTZ','VTZ Valence Triple Zeta: 3 Functions/Valence AO'); INSERT INTO "basis_tab" VALUES(133,'Modified Wachters-Hay basis for Zn','N/A'); INSERT INTO "basis_tab" VALUES(134,'NASA Ames ANO','VQZ3P Valence Quadruple Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(135,'NASA Ames ANO2','VQZ3P Valence Quadruple Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(136,'NASA Ames cc-pCV5Z','V5Z4P Valence Quintuple Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(137,'NASA Ames cc-pCVQZ','VTZ2P Valence Triple Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(138,'NASA Ames cc-pCVTZ','VTZ2P Valence Triple Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(139,'NASA Ames cc-pV5Z','V5Z4P Valence Quintuple Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(140,'NASA Ames cc-pVTZ','VTZ2P Valence Triple Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(141,'NASA Ames cc-pVQZ','VQZ3P Valence Quadruple Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(142,'NLO-V','N/A'); INSERT INTO "basis_tab" VALUES(143,'O-ANOL','N/A'); INSERT INTO "basis_tab" VALUES(144,'Partridge Uncontracted 1','1D UNCONTR Uncontracted (s,p) Sets (Smallest)'); INSERT INTO "basis_tab" VALUES(145,'Partridge Uncontracted 2','1D UNCONTR Uncontracted (s,p) Sets (Intermediate)'); INSERT INTO "basis_tab" VALUES(146,'Partridge Uncontracted 4','1D UNCONTR Uncontracted (s,p) Sets (Large)'); INSERT INTO "basis_tab" VALUES(147,'Partridge Uncontracted 3','1D UNCONTR Uncontracted (s,p) Sets (Large)'); INSERT INTO "basis_tab" VALUES(148,'Pople (2d,2p) Polarization','2P Polarization functions associated with 6-311G'); INSERT INTO "basis_tab" VALUES(149,'Pople (2df,2pd) Polarization','2P Polarization functions associated with 6-311G'); INSERT INTO "basis_tab" VALUES(150,'Pople (3df,3pd) Polarization','3P Polarization functions associated with 6-31G and 6-311G'); INSERT INTO "basis_tab" VALUES(151,'Pople-style Diffuse','1D Shared exponent, diffuse (s,p)'); INSERT INTO "basis_tab" VALUES(152,'Pt - mDZP','Pt - mDZP (all electron basis set)'); INSERT INTO "basis_tab" VALUES(153,'QZP','All-electron quadruple zeta plus polarization functions.'); INSERT INTO "basis_tab" VALUES(154,'QZP-DKH','All-electron quadruple zeta valence quality plus polarization functions'); INSERT INTO "basis_tab" VALUES(155,'Roos Augmented Double Zeta ANO','VDZPD Valence Double Zeta + Polarization + Diffuse'); INSERT INTO "basis_tab" VALUES(156,'Roos Augmented Triple Zeta ANO','VTZ2PD Valence Triple Zeta + Polarization + Diffuse'); INSERT INTO "basis_tab" VALUES(157,'SARC-ZORA','Segmented all-electron relativistically contracted basis sets for ZORA'); INSERT INTO "basis_tab" VALUES(158,'SARC-DKH','N/A'); INSERT INTO "basis_tab" VALUES(159,'SDB-aug-cc-pVQZ Diffuse','1D Diffuse Functions'); INSERT INTO "basis_tab" VALUES(160,'SBKJC Polarized (p,2d) - LFK','N/A'); INSERT INTO "basis_tab" VALUES(161,'SDB-aug-cc-pVQZ','VQZ3P Valence Quadruple Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(162,'SBKJC VDZ ECP','VDZ Valence Double Zeta designed for an ECP'); INSERT INTO "basis_tab" VALUES(163,'SDB-aug-cc-pVTZ','VTZ2P Valence Triple Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(164,'SDB-aug-cc-pVTZ Diffuse','1D Diffuse Functions'); INSERT INTO "basis_tab" VALUES(165,'STO-2G','MB Minimal Basis: 1 Function/AO'); INSERT INTO "basis_tab" VALUES(166,'SDB-cc-pVTZ','VTZ2P Valence Triple Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(167,'SDB-cc-pVQZ','VQZ3P Valence Quadruple Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(168,'STO-3G','MB Minimal Basis: 1 Function/AO'); INSERT INTO "basis_tab" VALUES(169,'STO-3G*','MBP Minimal Basis + Polarization on second row'); INSERT INTO "basis_tab" VALUES(170,'STO-3G* Polarization','1P Polarization functions from STO-3G*'); INSERT INTO "basis_tab" VALUES(171,'SV (Dunning-Hay)','VDZ Valence Double Zeta: 2 Funct.''s/Valence AO'); INSERT INTO "basis_tab" VALUES(172,'STO-6G','MB Minimal Basis: 1 Function/AO'); INSERT INTO "basis_tab" VALUES(173,'SV + Double Rydberg (Dunning-Hay)','VDZ2R Valence Double Zeta + Double Rydberg Functions'); INSERT INTO "basis_tab" VALUES(174,'SV + Rydberg (Dunning-Hay)','VDZ1R Valence Double Zeta + Diffuse Rydberg Functions'); INSERT INTO "basis_tab" VALUES(175,'SVP (Dunning-Hay)','VDZP Valence Double Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(176,'SVP + Diffuse (Dunning-Hay)','VDZPD Valence Double Zeta + Polarization + Diffuse'); INSERT INTO "basis_tab" VALUES(177,'SVP + Diffuse + Rydberg','VDZPD1R Valence Double Zeta + Polar. + Diffuse + Rydberg'); INSERT INTO "basis_tab" VALUES(178,'SVP + Rydberg (Dunning-Hay)','VDZP1R Valence Double Zeta + Polarization + Rydberg'); INSERT INTO "basis_tab" VALUES(179,'Sadlej pVTZ','VTZ2P Valence Triple zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(180,'Sadlej+','For response calculations'); INSERT INTO "basis_tab" VALUES(181,'Stuttgart RLC ECP','DZ Double Zeta Basis Set designed for an ECP'); INSERT INTO "basis_tab" VALUES(182,'TZ (Dunning)','VTZ Valence Triple Zeta: 3 Funct.''s/Valence AO'); INSERT INTO "basis_tab" VALUES(183,'Stuttgart RSC Segmented/ECP','QZ Quadruple Zeta Basis Set designed for an ECP'); INSERT INTO "basis_tab" VALUES(184,'Stuttgart RSC 1997 ECP','DZ Double Zeta Basis Set designed for an ECP'); INSERT INTO "basis_tab" VALUES(185,'Stuttgart RSC ANO/ECP','QZ Quadruple Zeta Basis Set designed for an ECP'); INSERT INTO "basis_tab" VALUES(186,'TZP','All-electron triple zeta plus polarization functions.'); INSERT INTO "basis_tab" VALUES(187,'TZP-DKH','All-electron triple zeta valence quality plus polarization functions'); INSERT INTO "basis_tab" VALUES(188,'Wachters+f','VDZP Valence Double Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(189,'a','N/A'); INSERT INTO "basis_tab" VALUES(190,'Weigend Coulomb Fitting','Improved Auxiliary Basis Sets'); INSERT INTO "basis_tab" VALUES(191,'TZVP (DFT Orbital)','VTZP Valence Triple Zeta + Polarization designed for DFT'); INSERT INTO "basis_tab" VALUES(192,'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.'); INSERT INTO "basis_tab" VALUES(193,'aug-cc-pCV(T+d)Z','Core-valence basis sets for second-row atoms (Al-Ar)'); INSERT INTO "basis_tab" VALUES(194,'aug-cc-pCV5Z','contractions incorrect for Al-Ar aug-cc-pCV5Z'); INSERT INTO "basis_tab" VALUES(195,'aug-cc-pCVDZ','DZ2PD Double Zeta + Polarization + Diffuse on All Atoms'); INSERT INTO "basis_tab" VALUES(196,'aug-cc-pCVDZ-DK','QZ3PD Quadruple Zeta + Polarization +Diffuse on All Atoms'); INSERT INTO "basis_tab" VALUES(197,'aug-cc-pCVQZ','QZ3PD Quadruple Zeta + Polarization +Diffuse on All Atoms'); INSERT INTO "basis_tab" VALUES(198,'aug-cc-pCVQZ-DK','QZ3PD Quadruple Zeta + Polarization +Diffuse on All Atoms'); INSERT INTO "basis_tab" VALUES(199,'WTBS','MB Minimal Basis: 1 Function/AO'); INSERT INTO "basis_tab" VALUES(200,'aug-cc-pCVTZ','TZ2PD Triple Zeta + Polarization + Diffuse on All Atoms'); INSERT INTO "basis_tab" VALUES(201,'aug-cc-pCVTZ-DK','QZ3PD Quadruple Zeta + Polarization +Diffuse on All Atoms'); INSERT INTO "basis_tab" VALUES(202,'UGBS','UGBS basis by de Castro and Jorge'); INSERT INTO "basis_tab" VALUES(203,'aug-cc-pV(5+d)Z Diffuse','1D Diffuse Functions'); INSERT INTO "basis_tab" VALUES(204,'aug-cc-pV(5+d)Z','V5Z4P Valence Quintuple Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(205,'aug-cc-pV(6+d)Z Diffuse','1D Diffuse Functions'); INSERT INTO "basis_tab" VALUES(206,'aug-cc-pV(D+d)Z Diffuse','1D Diffuse Functions'); INSERT INTO "basis_tab" VALUES(207,'aug-cc-pV(D+d)Z','VDZ2PD Valence Double Zeta + Polarization + Diffuse'); INSERT INTO "basis_tab" VALUES(208,'aug-cc-pV(6+d)Z','V6Z5P Valence Sextuple Zeta + Polarization + Diffuse'); INSERT INTO "basis_tab" VALUES(209,'aug-cc-pV(Q+d)Z Diffuse','1D Diffuse Functions'); INSERT INTO "basis_tab" VALUES(210,'aug-cc-pV(Q+d)Z','VQZ3PD Valence Quadruple Zeta + Polarization + Diffuse'); INSERT INTO "basis_tab" VALUES(211,'aug-cc-pV(T+d)Z Diffuse','1D Diffuse Functions'); INSERT INTO "basis_tab" VALUES(212,'aug-cc-pV(T+d)Z','VTZ2PD Valence Triple Zeta + Polarization + Diffuse'); INSERT INTO "basis_tab" VALUES(213,'aug-cc-pV5Z Diffuse','1D Diffuse Functions'); INSERT INTO "basis_tab" VALUES(214,'aug-cc-pV5Z-DK Diffuse','1D Diffuse Functions'); INSERT INTO "basis_tab" VALUES(215,'aug-cc-pV5Z-NR Diffuse','1D Diffuse Functions'); INSERT INTO "basis_tab" VALUES(216,'aug-cc-pV5Z','V5Z4PD Valence Quintuple Zeta + Polarization + Diffuse'); INSERT INTO "basis_tab" VALUES(217,'aug-cc-pV5Z-NR MP2 Fitting','MP2 auxiliary basis for use with aug-cc-pV5Z-NR AO basis set'); INSERT INTO "basis_tab" VALUES(218,'aug-cc-pV5Z-DK','V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(219,'aug-cc-pV5Z-NR','parse error in Sc aug-cc-pV5Z-NR'); INSERT INTO "basis_tab" VALUES(220,'aug-cc-pV5Z-PP-RI Diffuse','auxiliary basis sets for for second-order correlation methods using the resolution-of-the-identity approximation for electron repulsion integrals (RI-MP2, RI-CC2, RI-CIS(D), RI-ADC(2),...)'); INSERT INTO "basis_tab" VALUES(221,'aug-cc-pV5Z-PP Diffuse','N/A'); INSERT INTO "basis_tab" VALUES(222,'aug-cc-pV5Z-PP-new','N/A'); INSERT INTO "basis_tab" VALUES(223,'aug-cc-pV5Z-PP','V5ZPD Valence Quintuple Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(224,'aug-cc-pV5Z-PP MP2 Fitting','aug-cc-pV5Z-PP/MP2Fit auxiliary basis set diffuse functions'); INSERT INTO "basis_tab" VALUES(225,'aug-cc-pV5Z-RI diffuse','N/A'); INSERT INTO "basis_tab" VALUES(226,'aug-cc-pV6Z Diffuse','1D Diffuse Functions'); INSERT INTO "basis_tab" VALUES(227,'aug-cc-pV5Z-PP_OPTRI','CABS RI basis sets for F12 matched to aug-cc-pV5Z-PP orbital basis sets'); INSERT INTO "basis_tab" VALUES(228,'aug-cc-pV5Z_OPTRI','CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets'); INSERT INTO "basis_tab" VALUES(229,'aug-cc-pV6Z','V6Z5P Valence Sextuple Zeta + Polarization + Diffuse'); INSERT INTO "basis_tab" VALUES(230,'aug-cc-pV6Z-RI diffuse','N/A'); INSERT INTO "basis_tab" VALUES(231,'aug-cc-pVDZ Diffuse','1D Diffuse Functions'); INSERT INTO "basis_tab" VALUES(232,'aug-cc-pVDZ-DK Diffuse','1D Diffuse Functions'); INSERT INTO "basis_tab" VALUES(233,'aug-cc-pVDZ','VDZ2PD Valence Double Zeta + Polarization + Diffuse'); INSERT INTO "basis_tab" VALUES(234,'aug-cc-pVDZ-PP Diffuse','1D Diffuse Functions'); INSERT INTO "basis_tab" VALUES(235,'aug-cc-pVDZ-DK','V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(236,'aug-cc-pVDZ-PP-RI Diffuse','auxiliary basis sets for for second-order correlation methods using the resolution-of-the-identity approximation for electron repulsion integrals (RI-MP2, RI-CC2, RI-CIS(D), RI-ADC(2),...)'); INSERT INTO "basis_tab" VALUES(237,'aug-cc-pVDZ-PP MP2 Fitting','MP2 auxiliary basis for use with aug-cc-pVDZ-PP AO basis set'); INSERT INTO "basis_tab" VALUES(238,'aug-cc-pVDZ-PP','VDZPD Valence Double Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(239,'aug-cc-pVDZ-PP-new','N/A'); INSERT INTO "basis_tab" VALUES(240,'aug-cc-pVDZ-RI diffuse','N/A'); INSERT INTO "basis_tab" VALUES(241,'aug-cc-pVDZ-PP_OPTRI','CABS RI basis sets for F12 matched to aug-cc-pVDZ-PP orbital basis sets'); INSERT INTO "basis_tab" VALUES(242,'aug-cc-pVDZ_OPTRI','CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets'); INSERT INTO "basis_tab" VALUES(243,'aug-cc-pVQZ Diffuse','1D Diffuse Functions'); INSERT INTO "basis_tab" VALUES(244,'aug-cc-pVQZ-DK Diffuse','1D Diffuse Functions'); INSERT INTO "basis_tab" VALUES(245,'aug-cc-pVQZ','VQZ3PD Valence Quadruple Zeta + Polarization + Diffuse'); INSERT INTO "basis_tab" VALUES(246,'aug-cc-pVQZ-NR Diffuse','1D Diffuse Functions'); INSERT INTO "basis_tab" VALUES(247,'aug-cc-pVQZ-NR MP2 Fitting','MP2 auxiliary basis for use with aug-cc-pVQZ-NR AO basis set'); INSERT INTO "basis_tab" VALUES(248,'aug-cc-pVQZ-NR','VQZPD All-electron non-relativistic Valence Quadruple Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(249,'aug-cc-pVQZ-DK','VQZPD All-electron Douglas-Kroll Valence Quadruple Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(250,'aug-cc-pVQZ-PP Diffuse','N/A'); INSERT INTO "basis_tab" VALUES(251,'aug-cc-pVQZ-PP-RI Diffuse','auxiliary basis sets for for second-order correlation methods using the resolution-of-the-identity approximation for electron repulsion integrals (RI-MP2, RI-CC2, RI-CIS(D), RI-ADC(2),...)'); INSERT INTO "basis_tab" VALUES(252,'aug-cc-pVQZ-PP MP2 Fitting','MP2 auxiliary basis for use with aug-cc-pVQZ-PP AO basis set'); INSERT INTO "basis_tab" VALUES(253,'aug-cc-pVQZ-PP-new','N/A'); INSERT INTO "basis_tab" VALUES(254,'aug-cc-pVQZ-PP_OPTRI','CABS RI basis sets for F12 matched to aug-cc-pVQZ-PP orbital basis sets'); INSERT INTO "basis_tab" VALUES(255,'aug-cc-pVQZ-PP','VQZPD Valence Quadruple Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(256,'aug-cc-pVQZ-RI diffuse','N/A'); INSERT INTO "basis_tab" VALUES(257,'aug-cc-pVQZ_OPTRI','CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets'); INSERT INTO "basis_tab" VALUES(258,'aug-cc-pVTZ Diffuse','1D Diffuse Functions'); INSERT INTO "basis_tab" VALUES(259,'aug-cc-pVTZ MP2 Fitting','N/A'); INSERT INTO "basis_tab" VALUES(260,'aug-cc-pVTZ-DK Diffuse','1D Diffuse Functions'); INSERT INTO "basis_tab" VALUES(261,'aug-cc-pVTZ','VTZ2PD Valence Triple Zeta + Polarization + Diffuse'); INSERT INTO "basis_tab" VALUES(262,'aug-cc-pVTZ-NR Diffuse','corrected diffuse functions for aug-cc-pVTZ for Sc'); INSERT INTO "basis_tab" VALUES(263,'aug-cc-pVTZ-DK','VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(264,'aug-cc-pVTZ-NR','VTZ2P All-electron non-relativistic Valence Triple Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(265,'aug-cc-pVTZ-NR MP2 Fitting','N/A'); INSERT INTO "basis_tab" VALUES(266,'aug-cc-pVTZ-PP Diffuse','N/A'); INSERT INTO "basis_tab" VALUES(267,'aug-cc-pVTZ-PP MP2 Fitting','aug-cc-pVTZ-PP/MP2Fit auxiliary basis set diffuse functions'); INSERT INTO "basis_tab" VALUES(268,'aug-cc-pVTZ-PP-RI Diffuse','auxiliary basis sets for for second-order correlation methods using the resolution-of-the-identity approximation for electron repulsion integrals (RI-MP2, RI-CC2, RI-CIS(D), RI-ADC(2),...)'); INSERT INTO "basis_tab" VALUES(269,'aug-cc-pVTZ-PP','VTZPD Valence Triple Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(270,'aug-cc-pVTZ-PP-new','N/A'); INSERT INTO "basis_tab" VALUES(271,'aug-cc-pVTZ-RI diffuse','N/A'); INSERT INTO "basis_tab" VALUES(272,'aug-cc-pVTZ_OPTRI','CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets'); INSERT INTO "basis_tab" VALUES(273,'aug-cc-pwCV5Z-DK','error in tight CV s functions for Fe aug-cc-pwCV5Z-DK'); INSERT INTO "basis_tab" VALUES(274,'aug-cc-pwCV5Z','5Z4P Quintuple Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(275,'aug-cc-pwCV5Z-PP_OPTRI','CABS RI basis sets for F12 matched to aug-cc-pwCV5Z-PP orbital basis sets'); INSERT INTO "basis_tab" VALUES(276,'aug-cc-pVTZ-PP_OPTRI','CABS RI basis sets for F12 matched to aug-cc-pVTZ-PP orbital basis sets'); INSERT INTO "basis_tab" VALUES(277,'aug-cc-pwCVDZ','DZP Double Zeta + Polarization + Tight Core'); INSERT INTO "basis_tab" VALUES(278,'aug-cc-pwCV5Z-PP MP2 Fitting','MP2 auxiliary basis for use with aug-cc-pwCV5Z-PP AO basis set'); INSERT INTO "basis_tab" VALUES(279,'aug-cc-pwCV5Z-NR','V5ZPD All-electron non-relativistic Core-Valence Quintuple Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(280,'aug-cc-pwCVDZ-PP_OPTRI','CABS RI basis sets for F12 matched to aug-cc-pwCVDZ-PP orbital basis sets'); INSERT INTO "basis_tab" VALUES(281,'aug-cc-pwCVDZ-PP MP2 Fitting','MP2 auxiliary basis for use with aug-cc-pwCVDZ-PP AO basis set'); INSERT INTO "basis_tab" VALUES(282,'aug-cc-pwCVQZ','QZ3PD Quadruple Zeta + Polarization +Diffuse on All Atoms'); INSERT INTO "basis_tab" VALUES(283,'aug-cc-pwCVQZ-DK','VQZPD All-electron Douglas-Kroll Core-Valence Quadruple Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(284,'aug-cc-pwCVQZ-PP_OPTRI','CABS RI basis sets for F12 matched to aug-cc-pwCVQZ-PP orbital basis sets'); INSERT INTO "basis_tab" VALUES(285,'aug-cc-pwCVQZ-PP MP2 Fitting','MP2 auxiliary basis for use with aug-cc-pwCVQZ-PP AO basis set'); INSERT INTO "basis_tab" VALUES(286,'aug-cc-pwCVQZ-NR','VQZPD All-electron non-relativistic Core-Valence Quadruple Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(287,'aug-cc-pwCVTZ','TZ2PD Triple Zeta + Polarization + Diffuse on All Atoms'); INSERT INTO "basis_tab" VALUES(288,'aug-cc-pwCVTZ-NR MP2 Fitting','MP2 auxiliary basis for use with aug-cc-pwCVTZ-NR AO basis set'); INSERT INTO "basis_tab" VALUES(289,'aug-cc-pwCVTZ-NR','VTZ2P All-electron non-relativistic Core-Valence Triple Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(290,'aug-cc-pwCVTZ-DK','N/A'); INSERT INTO "basis_tab" VALUES(291,'aug-cc-pwCVTZ-PP MP2 Fitting','MP2 auxiliary basis for use with aug-cc-pwCVTZ-PP AO basis set'); INSERT INTO "basis_tab" VALUES(292,'aug-cc-pwCVTZ-PP_OPTRI','CABS RI basis sets for F12 matched to aug-cc-pwCVTZ-PP orbital basis sets'); INSERT INTO "basis_tab" VALUES(293,'aug-mcc-pV5Z','V5Z4PD Valence Quintuple Zeta + Polarization + Diffuse'); INSERT INTO "basis_tab" VALUES(294,'aug-mcc-pV6Z','V6Z5P Valence Sextuple Zeta + Polarization + Diffuse'); INSERT INTO "basis_tab" VALUES(295,'aug-mcc-pV7Z','V7Z6P Valence Septuple Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(296,'aug-mcc-pV8Z','V8Z7P Valence Octuple Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(297,'aug-mcc-pVQZ','VQZ3PD Valence Quadruple Zeta + Polarization + Diffuse'); INSERT INTO "basis_tab" VALUES(298,'aug-mcc-pVTZ','VTZ2PD Valence Triple Zeta + Polarization + Diffuse'); INSERT INTO "basis_tab" VALUES(299,'aug-pV7Z Diffuse','1D Diffuse Functions'); INSERT INTO "basis_tab" VALUES(300,'aug-pV7Z','V7Z6P Valence Septuple Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(301,'aug-pc-0','N/A'); INSERT INTO "basis_tab" VALUES(302,'aug-pc-2','N/A'); INSERT INTO "basis_tab" VALUES(303,'aug-pc-4','N/A'); INSERT INTO "basis_tab" VALUES(304,'aug-pcJ-0','N/A'); INSERT INTO "basis_tab" VALUES(305,'aug-pc-1','N/A'); INSERT INTO "basis_tab" VALUES(306,'aug-pcJ-0_2006','N/A'); INSERT INTO "basis_tab" VALUES(307,'aug-pcJ-1','N/A'); INSERT INTO "basis_tab" VALUES(308,'aug-pcJ-1_2006','N/A'); INSERT INTO "basis_tab" VALUES(309,'aug-pc-3','N/A'); INSERT INTO "basis_tab" VALUES(310,'aug-pcJ-2','N/A'); INSERT INTO "basis_tab" VALUES(311,'aug-pcJ-2_2006','N/A'); INSERT INTO "basis_tab" VALUES(312,'aug-pcJ-3','N/A'); INSERT INTO "basis_tab" VALUES(313,'aug-pcJ-3_2006','N/A'); INSERT INTO "basis_tab" VALUES(314,'aug-pcJ-4','N/A'); INSERT INTO "basis_tab" VALUES(315,'aug-pcS-0','N/A'); INSERT INTO "basis_tab" VALUES(316,'aug-pcS-2','N/A'); INSERT INTO "basis_tab" VALUES(317,'aug-pcS-1','N/A'); INSERT INTO "basis_tab" VALUES(318,'aug-pcJ-4_2006','N/A'); INSERT INTO "basis_tab" VALUES(319,'aug-pcS-3','N/A'); INSERT INTO "basis_tab" VALUES(320,'aug-pcS-4','N/A'); INSERT INTO "basis_tab" VALUES(321,'aug-pcSseg-0','N/A'); INSERT INTO "basis_tab" VALUES(322,'aug-pcSseg-1','N/A'); INSERT INTO "basis_tab" VALUES(323,'aug-pcSseg-3','N/A'); INSERT INTO "basis_tab" VALUES(324,'aug-pcSseg-2','N/A'); INSERT INTO "basis_tab" VALUES(325,'aug-pcseg-0','Valence Double Zeta, Diffuse Augmented, DFT Optimized'); INSERT INTO "basis_tab" VALUES(326,'aug-pcSseg-4','N/A'); INSERT INTO "basis_tab" VALUES(327,'aug-pcseg-1','Polarized Valence Double Zeta, Diffuse Augmented, DFT Optimized'); INSERT INTO "basis_tab" VALUES(328,'aug-pcseg-2','Polarized Valence Triple Zeta, Diffuse Augmented, DFT Optimized'); INSERT INTO "basis_tab" VALUES(329,'aug-pcseg-3','Polarized Valence Quadruple Zeta, Diffuse Augmented, DFT Optimized'); INSERT INTO "basis_tab" VALUES(330,'cc-pCV5Z0','V5Z4P Valence Quintuple Zeta + Tight s and p functions'); INSERT INTO "basis_tab" VALUES(331,'aug-pcseg-4','Polarized Valence Pentuble Zeta, Diffuse Augmented, DFT Optimized'); INSERT INTO "basis_tab" VALUES(332,'cc-pCV6Z(old)','6Z5P Sextuple Zeta + Polarization + Tight Core'); INSERT INTO "basis_tab" VALUES(333,'cc-pCV6Z','correlation consistent core-valence sextuple-zeta basis sets for Al-Ar'); INSERT INTO "basis_tab" VALUES(334,'cc-pCV5Z','N/A'); INSERT INTO "basis_tab" VALUES(335,'cc-pCVDZ','DZP Double Zeta + Polarization + Tight Core'); INSERT INTO "basis_tab" VALUES(336,'cc-pCVDZ(old)','DZP Double Zeta + Polarization + Tight Core'); INSERT INTO "basis_tab" VALUES(337,'cc-pCVDZ-F12','correlation consistent F12 basis sets'); INSERT INTO "basis_tab" VALUES(338,'cc-pCVDZ-F12_OPTRI','CABS RI basis sets for F12 matched to cc-pCVnZ-F12 orbital basis sets'); INSERT INTO "basis_tab" VALUES(339,'cc-pCVQZ','QZ3P Quadruple Zeta + Polarization + Tight Core'); INSERT INTO "basis_tab" VALUES(340,'cc-pCVQZ(old)','QZ3P Quadruple Zeta + Polarization + Tight Core'); INSERT INTO "basis_tab" VALUES(341,'cc-pCVQZ-F12','correlation consistent F12 basis sets'); INSERT INTO "basis_tab" VALUES(342,'cc-pCVQZ-F12_OPTRI','CABS RI basis sets for F12 matched to cc-pCVnZ-F12 orbital basis sets'); INSERT INTO "basis_tab" VALUES(343,'cc-pCVTZ','TZ2P Triple Zeta + Polarization + Tight Core'); INSERT INTO "basis_tab" VALUES(344,'cc-pCVTZ(old)','TZ2P Triple Zeta + Polarization + Tight Core'); INSERT INTO "basis_tab" VALUES(345,'cc-pCVTZ-F12','correlation consistent F12 basis sets'); INSERT INTO "basis_tab" VALUES(346,'cc-pCVTZ-F12_OPTRI','CABS RI basis sets for F12 matched to cc-pCVnZ-F12 orbital basis sets'); INSERT INTO "basis_tab" VALUES(347,'cc-pV(5+d)Z-RI','N/A'); INSERT INTO "basis_tab" VALUES(348,'cc-pV(5+d)Z','V5Z4P Valence Quintuple Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(349,'cc-pV(6+d)Z-RI','N/A'); INSERT INTO "basis_tab" VALUES(350,'cc-pV(6+d)Z','V6Z5P Valence Sextuple Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(351,'cc-pV(D+d)Z','VDZP Valence Double Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(352,'cc-pV(D+d)Z-RI','N/A'); INSERT INTO "basis_tab" VALUES(353,'cc-pV(Q+d)Z-RI','N/A'); INSERT INTO "basis_tab" VALUES(354,'cc-pV(Q+d)Z','VQZ3P Valence Quadruple Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(355,'cc-pV(T+d)Z','VTZ2P Valence Triple Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(356,'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.'); INSERT INTO "basis_tab" VALUES(357,'cc-pV(T+d)Z-DK','tight-d cc-pV(T+d)Z-DK for Al-Ar'); INSERT INTO "basis_tab" VALUES(358,'cc-pV(T+d)Z-RI','N/A'); INSERT INTO "basis_tab" VALUES(359,'cc-pV5Z(fi/sf/fw)','V5Z4P Relativistic Valence Quintuple Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(360,'cc-pV5Z(fi/sf/sc)','V5Z4P Relativistic Valence Quintuple Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(361,'cc-pV5Z(pt/sf/fw)','V5Z4P Relativistic Valence Quintuple Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(362,'cc-pV5Z(fi/sf/lc)','V5Z4P Relativistic Valence Quintuple Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(363,'cc-pV5Z(pt/sf/lc)','V5Z4P Relativistic Valence Quintuple Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(364,'cc-pV5Z','V5Z4P Valence Quintuple Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(365,'cc-pV5Z(pt/sf/sc)','V5Z4P Relativistic Valence Quintuple Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(366,'cc-pV5Z-NR MP2 Fitting','MP2 auxiliary basis for use with cc-pV5Z-NR AO basis set'); INSERT INTO "basis_tab" VALUES(367,'cc-pV5Z-PP MP2 Fitting','MP2 auxiliary basis for use with cc-pV5Z-PP AO basis set'); INSERT INTO "basis_tab" VALUES(368,'cc-pV5Z-PP','cc-pV5Z-PP for Hf - Pt'); INSERT INTO "basis_tab" VALUES(369,'cc-pV5Z-NR','5Z4P All-electron non-relativistic Valence Quintuple Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(370,'cc-pV5Z-DK','V5Z4P Douglas-Kroll Valence Quintuple Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(371,'cc-pV5Z-PP-new','N/A'); INSERT INTO "basis_tab" VALUES(372,'cc-pV5Z-PP-RI','auxiliary basis sets for for second-order correlation methods using the resolution-of-the-identity approximation for electron repulsion integrals (RI-MP2, RI-CC2, RI-CIS(D), RI-ADC(2),...)'); INSERT INTO "basis_tab" VALUES(373,'cc-pV5Z-RI','N/A'); INSERT INTO "basis_tab" VALUES(374,'cc-pV6Z','V6Z5P Valence Sextuple Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(375,'cc-pV8Z','V7Z6P Valence Octuple Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(376,'cc-pV6Z-RI','N/A'); INSERT INTO "basis_tab" VALUES(377,'cc-pV9Z','V7Z6P Valence Octuple Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(378,'cc-pVDZ','VDZP Valence Double Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(379,'cc-pVDZ(fi/sf/fw)','VDZP Relativistic Valence Double Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(380,'cc-pVDZ(fi/sf/lc)','VDZP Relativistic Valence Double Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(381,'cc-pVDZ(fi/sf/sc)','VDZP Relativistic Valence Double Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(382,'cc-pVDZ(pt/sf/lc)','VDZP Relativistic Valence Double Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(383,'cc-pVDZ(pt/sf/fw)','VDZP Relativistic Valence Double Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(384,'cc-pVDZ(pt/sf/sc)','VDZP Relativistic Valence Double Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(385,'cc-pVDZ-F12','correlation consistent F12 basis sets'); INSERT INTO "basis_tab" VALUES(386,'cc-pVDZ(seg-opt)','VDZP Valence Double Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(387,'cc-pVDZ-F12_OPTRI','CABS RI basis sets for F12 matched to cc-pVnZ-F12 orbital basis sets'); INSERT INTO "basis_tab" VALUES(388,'cc-pVDZ-PP','cc-pVDZ-PP for Hf - Pt'); INSERT INTO "basis_tab" VALUES(389,'cc-pVDZ-DK','VDZP Douglas-Kroll Valence Double Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(390,'cc-pVDZ-PP MP2 Fitting','cc-pVDZ-PP MP2 Fitting'); INSERT INTO "basis_tab" VALUES(391,'cc-pVDZ-PP-new','N/A'); INSERT INTO "basis_tab" VALUES(392,'cc-pVDZ-PP-RI','auxiliary basis sets for for second-order correlation methods using the resolution-of-the-identity approximation for electron repulsion integrals (RI-MP2, RI-CC2, RI-CIS(D), RI-ADC(2),...)'); INSERT INTO "basis_tab" VALUES(393,'cc-pVDZ-fit2-1','VDZP RI-MP2 double zeta fitting basis set'); INSERT INTO "basis_tab" VALUES(394,'cc-pVDZ-RI','N/A'); INSERT INTO "basis_tab" VALUES(395,'cc-pVQZ(pt/sf/fw)','VQZ3P Relativistic Valence Quadruple Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(396,'cc-pVQZ(fi/sf/lc)','VQZ3P Relativistic Valence Quadruple Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(397,'cc-pVQZ(fi/sf/fw)','VQZ3P Relativistic Valence Quadruple Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(398,'cc-pVQZ(fi/sf/sc)','VQZ3P Relativistic Valence Quadruple Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(399,'cc-pVQZ(pt/sf/lc)','VQZ3P Relativistic Valence Quadruple Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(400,'cc-pVQZ','VQZ3P Valence Quadruple Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(401,'cc-pVQZ(seg-opt)','VQZ3P Valence Quadruple Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(402,'cc-pVQZ-F12_OPTRI','CABS RI basis sets for F12 matched to cc-pVnZ-F12 orbital basis sets'); INSERT INTO "basis_tab" VALUES(403,'cc-pVQZ(pt/sf/sc)','VQZ3P Relativistic Valence Quadruple Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(404,'cc-pVQZ-F12','correlation consistent F12 basis sets'); INSERT INTO "basis_tab" VALUES(405,'cc-pVQZ-DK','VQZ3P Douglas-Kroll Valence Quadruple Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(406,'cc-pVQZ-NR','QZ3P All-electron non-relativistic Valence Quadruple Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(407,'cc-pVQZ-NR MP2 Fitting','MP2 auxiliary basis for use with cc-pVQZ-NR AO basis set'); INSERT INTO "basis_tab" VALUES(408,'cc-pVQZ-PP','N/A'); INSERT INTO "basis_tab" VALUES(409,'cc-pVQZ-PP MP2 Fitting','MP2 auxiliary basis set for use with cc-pVQZ-PP AO basis set'); INSERT INTO "basis_tab" VALUES(410,'cc-pVQZ-PP-new','N/A'); INSERT INTO "basis_tab" VALUES(411,'cc-pVQZ-PP-RI','auxiliary basis sets for for second-order correlation methods using the resolution-of-the-identity approximation for electron repulsion integrals (RI-MP2, RI-CC2, RI-CIS(D), RI-ADC(2),...)'); INSERT INTO "basis_tab" VALUES(412,'cc-pVQZ-RI','N/A'); INSERT INTO "basis_tab" VALUES(413,'cc-pVTZ','VTZ2P Valence Triple Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(414,'cc-pVTZ MP2 Fitting','MP2 auxiliary basis to be used with cc-pVTZ-NR AO basis'); INSERT INTO "basis_tab" VALUES(415,'cc-pVTZ(fi/sf/fw)','VTZ2P Relativistic Valence Triple Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(416,'cc-pVTZ(fi/sf/lc)','VTZ2P Relativistic Valence Triple Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(417,'cc-pVTZ(fi/sf/sc)','VTZ2P Relativistic Valence Triple Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(418,'cc-pVTZ(pt/sf/fw)','VTZ2P Relativistic Valence Triple Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(419,'cc-pVTZ(pt/sf/lc)','VTZ2P Relativistic Valence Triple Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(420,'cc-pVTZ+','cc-pVTZ basis set augmented with diffuse functions from 6-31+G basis set.'); INSERT INTO "basis_tab" VALUES(421,'cc-pVTZ(pt/sf/sc)','VTZ2P Relativistic Valence Triple Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(422,'cc-pVTZ-F12','correlation consistent F12 basis sets'); INSERT INTO "basis_tab" VALUES(423,'cc-pVTZ-F12_OPTRI','CABS RI basis sets for F12 matched to cc-pVnZ-F12 orbital basis sets'); INSERT INTO "basis_tab" VALUES(424,'cc-pVTZ-DK','N/A'); INSERT INTO "basis_tab" VALUES(425,'cc-pVTZ(seg-opt)','VTZ2P Valence Triple Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(426,'cc-pVTZ-PP','cc-pVTZ-PP for Hf - Pt'); INSERT INTO "basis_tab" VALUES(427,'cc-pVTZ-NR','TZ2P All-electron non-relativistic Valence Triple Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(428,'cc-pVTZ-PP MP2 Fitting','cc-pVTZ-PP MP2 Fitting auxiliary basis set'); INSERT INTO "basis_tab" VALUES(429,'cc-pwCV5Z Core Set','V5Z4P Valence Quintuple Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(430,'cc-pVTZ-fit2-1','VTZP RI-MP2 triple zeta fitting basis set'); INSERT INTO "basis_tab" VALUES(431,'cc-pVTZ-PP-RI','auxiliary basis sets for for second-order correlation methods using the resolution-of-the-identity approximation for electron repulsion integrals (RI-MP2, RI-CC2, RI-CIS(D), RI-ADC(2),...)'); INSERT INTO "basis_tab" VALUES(432,'cc-pwCV5Z','5Z4P Quintuple Zeta + Polarization + Tight Core'); INSERT INTO "basis_tab" VALUES(433,'cc-pVTZ-RI','N/A'); INSERT INTO "basis_tab" VALUES(434,'cc-pVTZ-PP-new','N/A'); INSERT INTO "basis_tab" VALUES(435,'cc-pwCV5Z Tight','4T Tight Functions'); INSERT INTO "basis_tab" VALUES(436,'cc-pwCV5Z-RI','auxiliary basis sets for for second-order correlation methods using the resolution-of-the-identity approximation for electron repulsion integrals (RI-MP2, RI-CC2, RI-CIS(D), RI-ADC(2),...)'); INSERT INTO "basis_tab" VALUES(437,'cc-pwCV5Z-PP MP2 Fitting','MP2 auxiliary basis for use with cc-pwCV5Z-PP AO basis set'); INSERT INTO "basis_tab" VALUES(438,'cc-pwCV5Z-PP','cc-pwCV5Z-PP for Hf - Pt'); INSERT INTO "basis_tab" VALUES(439,'cc-pwCV5Z-RI tight','N/A'); INSERT INTO "basis_tab" VALUES(440,'cc-pwCV5Z-NR','5Z4P All-electron non-relativistic Core-Valence Quintuple Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(441,'cc-pwCV5Z-DK','5Z4P All-electron Douglas-Kroll Core-Valence Quintuple Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(442,'cc-pwCVDZ Tight','1T Tight Functions'); INSERT INTO "basis_tab" VALUES(443,'cc-pwCVDZ','DZP Double Zeta + Polarization + Tight Core'); INSERT INTO "basis_tab" VALUES(444,'cc-pwCVDZ-RI tight','N/A'); INSERT INTO "basis_tab" VALUES(445,'cc-pwCVDZ-PP MP2 Fitting','MP2 auxiliary basis for use with cc-pwCVDZ-PP AO basis set'); INSERT INTO "basis_tab" VALUES(446,'cc-pwCVDZ-PP','N/A'); INSERT INTO "basis_tab" VALUES(447,'cc-pwCVDZ-RI','auxiliary basis sets for for second-order correlation methods using the resolution-of-the-identity approximation for electron repulsion integrals (RI-MP2, RI-CC2, RI-CIS(D), RI-ADC(2),...)'); INSERT INTO "basis_tab" VALUES(448,'cc-pwCVQZ Tight','3T Tight Functions'); INSERT INTO "basis_tab" VALUES(449,'cc-pwCVQZ','QZ3P Quadruple Zeta + Polarization + Tight Core'); INSERT INTO "basis_tab" VALUES(450,'cc-pwCVQZ-DK','QZ3P All-electron Douglas-Kroll Core-Valence Quadruple Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(451,'cc-pwCVQZ-RI','auxiliary basis sets for for second-order correlation methods using the resolution-of-the-identity approximation for electron repulsion integrals (RI-MP2, RI-CC2, RI-CIS(D), RI-ADC(2),...)'); INSERT INTO "basis_tab" VALUES(452,'cc-pwCVQZ-PP','N/A'); INSERT INTO "basis_tab" VALUES(453,'cc-pwCVQZ-PP MP2 Fitting','cc-pwCVQZ-PP MP2 fitting auxiliary basis set'); INSERT INTO "basis_tab" VALUES(454,'cc-pwCVQZ-NR','QZ3P All-electron non-relativistic Core-Valence Quadruple Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(455,'cc-pwCVQZ-RI tight','N/A'); INSERT INTO "basis_tab" VALUES(456,'cc-pwCVTZ Tight','2T Tight Functions'); INSERT INTO "basis_tab" VALUES(457,'cc-pwCVTZ','TZ2P Triple Zeta + Polarization + Tight Core'); INSERT INTO "basis_tab" VALUES(458,'cc-pwCVTZ-NR MP2 Fitting','MP2 auxiliary basis for use with cc-pwCVTZ-NR AO basis set'); INSERT INTO "basis_tab" VALUES(459,'cc-pwCVTZ-PP MP2 Fitting','MP2 auxiliary basis for use with cc-pwCVTZ-PP AO basis set'); INSERT INTO "basis_tab" VALUES(460,'cc-pwCVTZ-RI tight','N/A'); INSERT INTO "basis_tab" VALUES(461,'cc-pwCVTZ-RI','auxiliary basis sets for for second-order correlation methods using the resolution-of-the-identity approximation for electron repulsion integrals (RI-MP2, RI-CC2, RI-CIS(D), RI-ADC(2),...)'); INSERT INTO "basis_tab" VALUES(462,'cc-pwCVTZ-NR','TZ2P All-electron non-relativistic Core-Valence Triple Zeta + Polarization'); INSERT INTO "basis_tab" VALUES(463,'cc-pwCVTZ-DK','N/A'); INSERT INTO "basis_tab" VALUES(464,'ccJ-pV5Z','augmented quintuple zeta Dunning basis sets optimized for spin-spin coupling constants'); INSERT INTO "basis_tab" VALUES(465,'ccJ-pVDZ','augmented double zeta Dunning basis sets optimized for spin-spin coupling constants'); INSERT INTO "basis_tab" VALUES(466,'ccJ-pVQZ','augmented quadruple zeta Dunning basis sets optimized for spin-spin coupling constants'); INSERT INTO "basis_tab" VALUES(467,'ccJ-pVTZ','augmented triple zeta Dunning basis sets optimized for spin-spin coupling constants'); INSERT INTO "basis_tab" VALUES(468,'ccemd-2','N/A'); INSERT INTO "basis_tab" VALUES(469,'ccemd-3','The ccemd-3 basis set'); INSERT INTO "basis_tab" VALUES(470,'coemd-2','N/A'); INSERT INTO "basis_tab" VALUES(471,'coemd-4','Basis set for computing moments of the electron momentum density at a 10^-4 relative accuracy'); INSERT INTO "basis_tab" VALUES(472,'d-aug-cc-pV5Z Diffuse','2D Diffuse Functions'); INSERT INTO "basis_tab" VALUES(473,'coemd-ref','CBS limit basis set for computing moments of the electron momentum density'); INSERT INTO "basis_tab" VALUES(474,'d-aug-cc-pV5Z','V5Z4PD Valence Quintuple Zeta + Polarization + Diffuse'); INSERT INTO "basis_tab" VALUES(475,'coemd-3','Basis set for computing moments of the electron momentum density at a 10^-3 relative accuracy'); INSERT INTO "basis_tab" VALUES(476,'d-aug-cc-pV6Z Diffuse','2D Diffuse Functions'); INSERT INTO "basis_tab" VALUES(477,'d-aug-cc-pV6Z','V6Z5P Valence Sextuple Zeta + Polarization + Diffuse'); INSERT INTO "basis_tab" VALUES(478,'d-aug-cc-pVDZ','VDZ2PD Valence Double Zeta + Polarization + Diffuse'); INSERT INTO "basis_tab" VALUES(479,'d-aug-cc-pVDZ Diffuse','2D Diffuse Functions'); INSERT INTO "basis_tab" VALUES(480,'d-aug-cc-pVQZ','VQZ3PD Valence Quadruple Zeta + Polarization + Diffuse'); INSERT INTO "basis_tab" VALUES(481,'d-aug-cc-pVQZ Diffuse','2D Diffuse Functions'); INSERT INTO "basis_tab" VALUES(482,'d-aug-cc-pVTZ Diffuse','2D Diffuse Functions'); INSERT INTO "basis_tab" VALUES(483,'d-aug-cc-pVTZ','VTZ2PD Valence Triple Zeta + Polarization + Diffuse'); INSERT INTO "basis_tab" VALUES(484,'dhf-SV(P)','N/A'); INSERT INTO "basis_tab" VALUES(485,'dhf-SVP','N/A'); INSERT INTO "basis_tab" VALUES(486,'dhf-QZVPP','N/A'); INSERT INTO "basis_tab" VALUES(487,'dhf-QZVP','N/A'); INSERT INTO "basis_tab" VALUES(488,'dhf-TZVP','N/A'); INSERT INTO "basis_tab" VALUES(489,'jareds cc-pVDZ','N/A'); INSERT INTO "basis_tab" VALUES(490,'dhf-TZVPP','N/A'); INSERT INTO "basis_tab" VALUES(491,'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'); INSERT INTO "basis_tab" VALUES(492,'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'); INSERT INTO "basis_tab" VALUES(493,'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'); INSERT INTO "basis_tab" VALUES(494,'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'); INSERT INTO "basis_tab" VALUES(495,'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.'); INSERT INTO "basis_tab" VALUES(496,'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'); INSERT INTO "basis_tab" VALUES(497,'kr-augccpvqz','kr-augccpvqz'); INSERT INTO "basis_tab" VALUES(498,'m6-31G*','Improved 6-31G* basis set for first-row transition metals'); INSERT INTO "basis_tab" VALUES(499,'m6-31G','Improved 6-31G basis set for first-row transition metals'); INSERT INTO "basis_tab" VALUES(500,'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.'); INSERT INTO "basis_tab" VALUES(501,'maug-cc-pV(T+d)Z','Minimally augmented cc-pV(T+d)Z'); INSERT INTO "basis_tab" VALUES(502,'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.'); INSERT INTO "basis_tab" VALUES(503,'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.'); INSERT INTO "basis_tab" VALUES(504,'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'); INSERT INTO "basis_tab" VALUES(505,'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.'); INSERT INTO "basis_tab" VALUES(506,'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'); INSERT INTO "basis_tab" VALUES(507,'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'); INSERT INTO "basis_tab" VALUES(508,'pSBKJC','Electrically polarized valence basis sets for the SBKJC effective core potential developed for calculations of dynamic polarizabilities and Raman intensities'); INSERT INTO "basis_tab" VALUES(509,'modified LANL2DZ','transition-metal LANL2DZ basis sets including optimized outer p functions'); INSERT INTO "basis_tab" VALUES(510,'pV6Z','V6Z5P Valence Sextuple Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(511,'pc-0','N/A'); INSERT INTO "basis_tab" VALUES(512,'pV7Z','V7Z6P Valence Septuple Zeta + Polarization on All Atoms'); INSERT INTO "basis_tab" VALUES(513,'pc-1','N/A'); INSERT INTO "basis_tab" VALUES(514,'pc-2','N/A'); INSERT INTO "basis_tab" VALUES(515,'pc-3','N/A'); INSERT INTO "basis_tab" VALUES(516,'pcJ-0','N/A'); INSERT INTO "basis_tab" VALUES(517,'pcJ-0_2006','N/A'); INSERT INTO "basis_tab" VALUES(518,'pc-4','N/A'); INSERT INTO "basis_tab" VALUES(519,'pcJ-1','N/A'); INSERT INTO "basis_tab" VALUES(520,'pcJ-1_2006','N/A'); INSERT INTO "basis_tab" VALUES(521,'pcJ-2','N/A'); INSERT INTO "basis_tab" VALUES(522,'pcJ-2_2006','N/A'); INSERT INTO "basis_tab" VALUES(523,'pcJ-3','N/A'); INSERT INTO "basis_tab" VALUES(524,'pcJ-3_2006','N/A'); INSERT INTO "basis_tab" VALUES(525,'pcJ-4','N/A'); INSERT INTO "basis_tab" VALUES(526,'pcS-0','N/A'); INSERT INTO "basis_tab" VALUES(527,'pcJ-4_2006','N/A'); INSERT INTO "basis_tab" VALUES(528,'pcS-1','N/A'); INSERT INTO "basis_tab" VALUES(529,'pcS-2','N/A'); INSERT INTO "basis_tab" VALUES(530,'pcSseg-0','N/A'); INSERT INTO "basis_tab" VALUES(531,'pcS-3','N/A'); INSERT INTO "basis_tab" VALUES(532,'pcS-4','N/A'); INSERT INTO "basis_tab" VALUES(533,'pcSseg-2','N/A'); INSERT INTO "basis_tab" VALUES(534,'pcSseg-1','N/A'); INSERT INTO "basis_tab" VALUES(535,'pcSseg-3','N/A'); INSERT INTO "basis_tab" VALUES(536,'pcemd-2','The pcemd-2 basis set'); INSERT INTO "basis_tab" VALUES(537,'pcemd-3','N/A'); INSERT INTO "basis_tab" VALUES(538,'pcseg-0','Valence Double Zeta, DFT optimized'); INSERT INTO "basis_tab" VALUES(539,'pcemd-4','The pcemd-4 basis set'); INSERT INTO "basis_tab" VALUES(540,'pcSseg-4','N/A'); INSERT INTO "basis_tab" VALUES(541,'pcseg-1','Polarized Valence Double Zeta, DFT Optimized'); INSERT INTO "basis_tab" VALUES(542,'s3-21G','Spin-state corrected 3-21G basis set'); INSERT INTO "basis_tab" VALUES(543,'s3-21G*','Spin-state corrected 3-21G* basis set'); INSERT INTO "basis_tab" VALUES(544,'pcseg-2','Polarized Valence Triple Zeta, DFT Optimized'); INSERT INTO "basis_tab" VALUES(545,'pcseg-4','Polarized Valence Pentuble Zeta, DFT Optimized'); INSERT INTO "basis_tab" VALUES(546,'s6-31G*','Spin-state corrected 6-31G* basis set'); INSERT INTO "basis_tab" VALUES(547,'pcseg-3','Polarized Valence Quadruple Zeta, DFT Optimized'); INSERT INTO "basis_tab" VALUES(548,'un-pcemd-ref','The un-pcemd-ref basis set'); INSERT INTO "basis_tab" VALUES(549,'un-ccemd-ref','The un-ccemd-ref basis set'); INSERT INTO "basis_tab" VALUES(550,'s6-31G','Spin-state corrected 6-31G basis set'); CREATE TABLE data_tab( basis_id INTEGER, elt TEXT, data TEXT, FOREIGN KEY(basis_id) REFERENCES basis_tab(basis_id) ); INSERT INTO "data_tab" VALUES(1,'Na','SODIUM D 1 1 0.1750000 1.0000000'); INSERT INTO "data_tab" VALUES(1,'Mg','MAGNESIUM D 1 1 0.1750000 1.0000000'); INSERT INTO "data_tab" VALUES(1,'Al','ALUMINUM D 1 1 0.3250000 1.0000000'); INSERT INTO "data_tab" VALUES(1,'Si','SILICON D 1 1 0.4500000 1.0000000'); INSERT INTO "data_tab" VALUES(1,'P','PHOSPHORUS D 1 1 0.5500000 1.0000000'); INSERT INTO "data_tab" VALUES(1,'S','SULFUR D 1 1 0.6500000 1.0000000'); INSERT INTO "data_tab" VALUES(1,'Cl','CHLORINE D 1 1 0.7500000 1.0000000'); INSERT INTO "data_tab" VALUES(1,'Ar','ARGON D 1 1 0.8500000 1.0000000'); INSERT INTO "data_tab" VALUES(2,'H','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'); INSERT INTO "data_tab" VALUES(2,'He','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'); INSERT INTO "data_tab" VALUES(2,'Li','LITHIUM S 4 1 6.22125269 0.78078507 2 22.26326619 0.24241842 3 97.91236393 0.05071977 4 651.92839884 0.00665110 L 2 1 0.63321114 0.44939164 0.97820115 2 1.93174060 0.60321101 0.03119495 L 2 1 0.07245156 0.50531424 0.56074416 2 0.02810692 0.53432442 0.50410730'); INSERT INTO "data_tab" VALUES(2,'Be','BERYLLIUM S 4 1 1281.42397277 0.00638749 2 192.45605825 0.04892235 3 43.77835437 0.23614153 4 12.28075755 0.78695107 L 2 1 3.86052205 0.58292539 0.04905946 2 1.28861524 0.46864909 0.96511292 L 2 1 0.18032110 0.47475993 0.65568982 2 0.05908650 0.57855155 0.42762693'); INSERT INTO "data_tab" VALUES(2,'B','BORON S 4 1 14.79897262 0.77662984 2 53.13843475 0.24686659 3 233.85790611 0.05163985 4 1556.51868555 0.00681146 L 2 1 4.57294690 0.73186174 0.21300003 2 1.46513514 0.31450844 0.84277253 L 2 1 0.39518725 0.41196632 0.52135350 2 0.11158418 0.65194061 0.58750765'); INSERT INTO "data_tab" VALUES(2,'C','CARBON S 4 1 2324.66403640 0.00663675 2 349.22183834 0.05032142 3 79.30064261 0.24296909 4 22.00625885 0.78100128 L 2 1 2.03555827 0.29772524 0.83312648 2 6.70420429 0.75088759 0.23076135 L 2 1 0.16609441 0.62020310 0.56506972 2 0.59447987 0.44649554 0.54578458'); INSERT INTO "data_tab" VALUES(2,'N','NITROGEN S 4 1 3386.19941553 0.00641147 2 508.59363913 0.04868181 3 115.40912068 0.23762421 4 31.91269701 0.78678387 L 2 1 2.83669640 0.30406025 0.83511465 2 9.60715253 0.74721161 0.23127996 L 2 1 0.23256375 0.60843918 0.55262789 2 0.84088243 0.45976217 0.55978358'); INSERT INTO "data_tab" VALUES(2,'O','OXYGEN S 4 1 4530.85789482 0.00629477 2 680.44844407 0.04781525 3 154.30182625 0.23478343 4 42.51652760 0.78995730 L 2 1 12.66325987 0.75787199 0.23116747 2 3.61036077 0.29493484 0.83821981 L 2 1 1.07505981 0.51349540 0.56437073 2 0.29132961 0.55805188 0.55109873'); INSERT INTO "data_tab" VALUES(2,'F','FLUORINE S 4 1 5968.40531277 0.00615808 2 896.22492628 0.04681854 3 203.09522485 0.23139253 4 55.77547708 0.79364873 L 2 1 4.60278108 0.29709745 0.84129192 2 16.46243652 0.75737271 0.22935227 L 2 1 0.36375539 0.53531867 0.54746365 2 1.36409288 0.53794985 0.57040224'); INSERT INTO "data_tab" VALUES(2,'Ne','NEON S 4 1 7685.45939082 0.79717471 2 1153.90851265 0.22813533 3 261.31379877 0.04587396 4 71.53455115 0.00602839 L 2 1 20.94394754 0.75329552 0.22718062 2 5.78220492 0.30276279 0.84402536 L 2 1 1.70420037 0.54844461 0.57537507 2 0.44903774 0.52597488 0.54426066'); INSERT INTO "data_tab" VALUES(2,'Na','SODIUM S 4 1 59005.87155763 0.00473939 2 8843.17387951 0.03779888 3 2008.73059640 0.19013983 4 561.94736148 0.83239318 L 4 1 176.57226717 0.12269887 0.01362284 2 60.11032461 0.31677325 0.05599760 3 21.95871851 0.47071062 0.24587058 4 8.29021291 0.20968897 0.77166316 L 3 1 3.13691110 0.15878594 0.40992238 2 1.16235250 0.70831804 0.48327929 3 0.41713128 0.18687630 0.24777554 L 1 1 0.04160676 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(2,'Mg','MAGNESIUM S 4 1 72842.35243521 0.00470575 2 10916.45507428 0.03764326 3 2479.23513566 0.18879433 4 692.83977420 0.83367701 L 4 1 217.09037882 0.11888710 0.01331108 2 73.67846021 0.31134881 0.05554740 3 26.88307904 0.47172841 0.24610458 4 10.17580589 0.21783346 0.77153877 L 3 1 3.88805740 0.14535014 0.42846748 2 1.48421463 0.72669529 0.48100724 3 0.56453065 0.17444781 0.21798770 L 1 1 0.07083222 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(2,'Al','ALUMINUM S 4 1 62847.68542369 0.00475706 2 9420.16948493 0.03784895 3 2138.10104481 0.19058192 4 595.28581279 0.83227640 L 4 1 184.47770208 0.17034259 0.01483406 2 61.57337332 0.40729042 0.05880090 3 22.14917918 0.44731093 0.26515058 4 7.84435316 0.08860339 0.75969233 L 2 1 2.84554383 0.57185919 0.63633007 2 1.02702844 0.47324522 0.43521388 L 2 1 0.19997297 0.45592907 0.48344484 2 0.06422400 0.59864031 0.60579422'); INSERT INTO "data_tab" VALUES(2,'Si','SILICON S 4 1 77268.41073923 0.00471727 2 11581.04064378 0.03765241 3 2628.14424648 0.18908175 4 731.10993167 0.83369708 L 4 1 226.12652055 0.16102878 0.01431625 2 75.34502197 0.39416686 0.05813094 3 27.09086423 0.45783226 0.26284309 4 9.68420613 0.10169375 0.76124411 L 2 1 3.56305299 0.53341058 0.63975798 2 1.32109381 0.50987761 0.42806093 L 2 1 0.29548054 0.44214995 0.51462114 2 0.09299312 0.61371257 0.57844461'); INSERT INTO "data_tab" VALUES(2,'P','PHOSPHORUS S 4 1 92357.70879877 0.00468580 2 13842.04110935 0.03749475 3 3140.72424901 0.18789116 4 872.93283981 0.83483671 L 4 1 269.41958607 0.15518186 0.01395191 2 89.58495929 0.38606128 0.05772958 3 32.18731171 0.46394981 0.26158571 4 11.57634306 0.11013903 0.76203850 L 2 1 4.30278928 0.51349477 0.64778594 2 1.62972925 0.52807824 0.41681222 L 2 1 0.40064094 0.43505843 0.53813549 2 0.12553218 0.62090850 0.55590096'); INSERT INTO "data_tab" VALUES(2,'S','SULFUR S 4 1 105207.77721164 0.00466626 2 15767.60700913 0.03738270 3 3576.84913332 0.18716417 4 992.96958124 0.83557729 L 4 1 305.54462944 0.15631361 0.01389503 2 101.24885897 0.39007346 0.05812291 3 36.31918553 0.46274983 0.26323355 4 13.06567166 0.10572295 0.76040208 L 2 1 4.87714887 0.54226236 0.67449592 2 1.87944449 0.49786071 0.38608298 L 2 1 0.49984510 0.47845866 0.56494619 2 0.15195999 0.58160802 0.53338470'); INSERT INTO "data_tab" VALUES(2,'Cl','CHLORINE S 4 1 117980.86046310 0.00465032 2 17681.61590091 0.03728028 3 4010.11959383 0.18659505 4 1111.87202959 0.83618135 L 4 1 341.05747400 0.15885258 0.01388550 2 112.60380446 0.39651064 0.05867183 3 40.31473566 0.45992126 0.26517685 4 14.48710148 0.09890034 0.75855829 L 2 1 5.41737647 0.58368081 0.70526712 2 2.10703882 0.45514756 0.35157984 L 2 1 0.60311140 0.50916680 0.59206431 2 0.18190769 0.55215437 0.50682259'); INSERT INTO "data_tab" VALUES(2,'Ar','ARGON S 4 1 131046.47324332 0.00463624 2 19639.52538669 0.03718266 3 4453.13641931 0.18611062 4 1233.16552904 0.83671117 L 4 1 377.07378686 0.16190511 0.01388563 2 124.03617925 0.40375525 0.05929867 3 44.31532406 0.45627568 0.26703142 4 15.90074003 0.09149139 0.75679618 L 2 1 5.94816287 0.63044981 0.73716507 2 2.31389200 0.40707137 0.31637208 L 2 1 0.70740511 0.47773574 0.61939692 2 0.21416492 0.52488802 0.53618685'); INSERT INTO "data_tab" VALUES(3,'Na','SODIUM S 3 1 547.6130000 0.0674911 2 82.0678000 0.3935050 3 17.6917000 0.6656050 L 3 1 17.5407000 -0.1119370 0.1282330 2 3.7939800 0.2546540 0.4715330 3 0.9064410 0.8444170 0.6042730 L 2 1 0.5018240 -0.2196600 0.0090665 2 0.0609458 1.0891200 0.9972020 L 1 1 0.0244349 1.0000000 1.0000000 L 1 1 0.0076000 1.0000000 1.0000000 D 1 1 0.1750000 1.0000000'); INSERT INTO "data_tab" VALUES(3,'Mg','MAGNESIUM S 3 1 652.8410000 0.0675982 2 98.3805000 0.3917780 3 21.2996000 0.6666610 L 3 1 23.3727000 -0.1102460 0.1210140 2 5.1995300 0.1841190 0.4628100 3 1.3150800 0.8963990 0.6069070 L 2 1 0.6113490 -0.3611010 0.0242633 2 0.1418410 1.2150500 0.9866730 L 1 1 0.0464011 1.0000000 1.0000000 L 1 1 0.0146000 1.0000000 1.0000000 D 1 1 0.1750000 1.0000000'); INSERT INTO "data_tab" VALUES(3,'Al','ALUMINUM S 3 1 775.7370000 0.0668347 2 116.9520000 0.3890610 3 25.3326000 0.6694680 L 3 1 29.4796000 -0.1079020 0.1175740 2 6.6331400 0.1462450 0.4611740 3 1.7267500 0.9237300 0.6055350 L 2 1 0.9461600 -0.3203270 0.0519383 2 0.2025060 1.1841200 0.9726600 L 1 1 0.0639088 1.0000000 1.0000000 L 1 1 0.0318000 1.0000000 1.0000000 D 1 1 0.3250000 1.0000000'); INSERT INTO "data_tab" VALUES(3,'Si','SILICON S 3 1 910.6550000 0.0660823 2 137.3360000 0.3862290 3 29.7601000 0.6723800 L 3 1 36.6716000 -0.1045110 0.1133550 2 8.3172900 0.1074100 0.4575780 3 2.2164500 0.9514460 0.6074270 L 2 1 1.0791300 -0.3761080 0.0671030 2 0.3024220 1.2516500 0.9568830 L 1 1 0.0933392 1.0000000 1.0000000 L 1 1 0.0331000 1.0000000 1.0000000 D 1 1 0.4500000 1.0000000'); INSERT INTO "data_tab" VALUES(3,'P','PHOSPHORUS S 3 1 1054.9000000 0.0655410 2 159.1950000 0.3840360 3 34.5304000 0.6745410 L 3 1 44.2866000 -0.1021300 0.1108510 2 10.1019000 0.0815920 0.4564950 3 2.7399700 0.9697880 0.6069360 L 2 1 1.2186500 -0.3714950 0.0915820 2 0.3955460 1.2709900 0.9349240 L 1 1 0.1228110 1.0000000 1.0000000 L 1 1 0.0348000 1.0000000 1.0000000 D 1 1 0.5500000 1.0000000'); INSERT INTO "data_tab" VALUES(3,'S','SULFUR S 3 1 1210.6200000 0.0650070 2 182.7470000 0.3820400 3 39.6673000 0.6765450 L 3 1 52.2236000 -0.1003100 0.1096460 2 11.9629000 0.0650880 0.4576490 3 3.2891100 0.9814550 0.6042610 L 2 1 1.2238400 -0.2860890 0.1647770 2 0.4573030 1.2280600 0.8708550 L 1 1 0.1422690 1.0000000 1.0000000 L 1 1 0.0405000 1.0000000 1.0000000 D 1 1 0.6500000 1.0000000'); INSERT INTO "data_tab" VALUES(3,'Cl','CHLORINE S 3 1 1376.4000000 0.0645827 2 207.8570000 0.3803630 3 45.1554000 0.6781900 L 3 1 60.8014000 -0.0987639 0.1085980 2 13.9765000 0.0511338 0.4586820 3 3.8871000 0.9913370 0.6019620 L 2 1 1.3529900 -0.2224010 0.2192160 2 0.5269550 1.1825200 0.8223210 L 1 1 0.1667140 1.0000000 1.0000000 L 1 1 0.0483000 1.0000000 1.0000000 D 1 1 0.7500000 1.0000000'); INSERT INTO "data_tab" VALUES(3,'Ar','ARGON S 3 1 1553.7100000 0.0641707 2 234.6780000 0.3787970 3 51.0121000 0.6797520 L 3 1 70.0453000 -0.0974661 0.1076190 2 16.1473000 0.0390569 0.4595760 3 4.5349200 0.9999160 0.6000410 L 2 1 1.5420900 -0.1768660 0.2556870 2 0.6072670 1.1469000 0.7898420 L 1 1 0.1953730 1.0000000 1.0000000 L 1 1 0.0600000 1.0000000 1.0000000 D 1 1 0.8500000 1.0000000'); INSERT INTO "data_tab" VALUES(4,'Na','SODIUM S 3 1 547.6130000 0.0674911 2 82.0678000 0.3935050 3 17.6917000 0.6656050 L 3 1 17.5407000 -0.1119370 0.1282330 2 3.7939800 0.2546540 0.4715330 3 0.9064410 0.8444170 0.6042730 L 2 1 0.5018240 -0.2196600 0.0090665 2 0.0609458 1.0891200 0.9972020 L 1 1 0.0244349 1.0000000 1.0000000 D 1 1 0.1750000 1.0000000'); INSERT INTO "data_tab" VALUES(4,'Mg','MAGNESIUM S 3 1 652.8410000 0.0675982 2 98.3805000 0.3917780 3 21.2996000 0.6666610 L 3 1 23.3727000 -0.1102460 0.1210140 2 5.1995300 0.1841190 0.4628100 3 1.3150800 0.8963990 0.6069070 L 2 1 0.6113490 -0.3611010 0.0242633 2 0.1418410 1.2150500 0.9866730 L 1 1 0.0464011 1.0000000 1.0000000 D 1 1 0.1750000 1.0000000'); INSERT INTO "data_tab" VALUES(4,'Al','ALUMINUM S 3 1 775.7370000 0.0668347 2 116.9520000 0.3890610 3 25.3326000 0.6694680 L 3 1 29.4796000 -0.1079020 0.1175740 2 6.6331400 0.1462450 0.4611740 3 1.7267500 0.9237300 0.6055350 L 2 1 0.9461600 -0.3203270 0.0519383 2 0.2025060 1.1841200 0.9726600 L 1 1 0.0639088 1.0000000 1.0000000 D 1 1 0.3250000 1.0000000'); INSERT INTO "data_tab" VALUES(4,'Si','SILICON S 3 1 910.6550000 0.0660823 2 137.3360000 0.3862290 3 29.7601000 0.6723800 L 3 1 36.6716000 -0.1045110 0.1133550 2 8.3172900 0.1074100 0.4575780 3 2.2164500 0.9514460 0.6074270 L 2 1 1.0791300 -0.3761080 0.0671030 2 0.3024220 1.2516500 0.9568830 L 1 1 0.0933392 1.0000000 1.0000000 D 1 1 0.4500000 1.0000000'); INSERT INTO "data_tab" VALUES(4,'P','PHOSPHORUS S 3 1 1054.9000000 0.0655410 2 159.1950000 0.3840360 3 34.5304000 0.6745410 L 3 1 44.2866000 -0.1021300 0.1108510 2 10.1019000 0.0815920 0.4564950 3 2.7399700 0.9697880 0.6069360 L 2 1 1.2186500 -0.3714950 0.0915820 2 0.3955460 1.2709900 0.9349240 L 1 1 0.1228110 1.0000000 1.0000000 D 1 1 0.5500000 1.0000000'); INSERT INTO "data_tab" VALUES(4,'S','SULFUR S 3 1 1210.6200000 0.0650070 2 182.7470000 0.3820400 3 39.6673000 0.6765450 L 3 1 52.2236000 -0.1003100 0.1096460 2 11.9629000 0.0650880 0.4576490 3 3.2891100 0.9814550 0.6042610 L 2 1 1.2238400 -0.2860890 0.1647770 2 0.4573030 1.2280600 0.8708550 L 1 1 0.1422690 1.0000000 1.0000000 D 1 1 0.6500000 1.0000000'); INSERT INTO "data_tab" VALUES(4,'Cl','CHLORINE S 3 1 1376.4000000 0.0645827 2 207.8570000 0.3803630 3 45.1554000 0.6781900 L 3 1 60.8014000 -0.0987639 0.1085980 2 13.9765000 0.0511338 0.4586820 3 3.8871000 0.9913370 0.6019620 L 2 1 1.3529900 -0.2224010 0.2192160 2 0.5269550 1.1825200 0.8223210 L 1 1 0.1667140 1.0000000 1.0000000 D 1 1 0.7500000 1.0000000'); INSERT INTO "data_tab" VALUES(4,'Ar','ARGON S 3 1 1553.7100000 0.0641707 2 234.6780000 0.3787970 3 51.0121000 0.6797520 L 3 1 70.0453000 -0.0974661 0.1076190 2 16.1473000 0.0390569 0.4595760 3 4.5349200 0.9999160 0.6000410 L 2 1 1.5420900 -0.1768660 0.2556870 2 0.6072670 1.1469000 0.7898420 L 1 1 0.1953730 1.0000000 1.0000000 D 1 1 0.8500000 1.0000000'); INSERT INTO "data_tab" VALUES(5,'H','HYDROGEN S 2 1 4.50036231 0.15631167 2 0.68128924 0.90466909 S 1 1 0.15137639 1.0000000'); INSERT INTO "data_tab" VALUES(5,'He','HELIUM S 2 1 13.62310172 0.17525420 2 1.99894370 0.89346310 S 1 1 0.38294258 1.0000000'); INSERT INTO "data_tab" VALUES(5,'Li','LITHIUM S 3 1 261.70980712 0.02718392 2 39.38599444 0.19946919 3 8.90009112 0.84471834 L 2 1 2.40550517 0.56680799 -0.00031685 2 0.70564043 0.49693207 1.00020338 L 1 1 0.04779874 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(5,'Be','BERYLLIUM S 3 1 503.79744442 0.02656239 2 75.82361701 0.19608914 3 17.18781371 0.84744314 L 2 1 4.71330223 0.55252358 -0.00939323 2 1.41880203 0.50897851 1.00611127 L 1 1 0.10454891 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(5,'B','BORON S 3 1 338.23459961 0.03374414 2 50.98058060 0.23775108 3 11.39060370 0.81212145 L 2 1 0.56716863 0.22649943 0.43916998 2 0.14236995 0.82508535 0.68095885 L 1 1 3.03182778 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(5,'C','CARBON S 3 1 499.24042249 0.03330322 2 75.25419194 0.23617745 3 16.86538669 0.81336259 L 2 1 0.89739483 0.24008573 0.46214684 2 0.21746772 0.81603757 0.66529098 L 1 1 4.52660451 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(5,'N','NITROGEN S 3 1 693.92431602 0.03294106 2 104.60302038 0.23480293 3 23.49023698 0.81448223 L 2 1 1.29068964 0.24876782 0.47669382 2 0.30742289 0.80997026 0.65455215 L 1 1 6.33456675 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(5,'O','OXYGEN S 3 1 910.10034975 0.03280967 2 137.19711335 0.23422391 3 30.85279077 0.81490980 L 2 1 1.72885887 0.27389659 0.48155753 2 0.39954770 0.79112437 0.65447861 L 1 1 8.35065975 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(5,'F','FLUORINE S 3 1 1162.26781448 0.03263225 2 175.21411023 0.23347259 3 39.44340117 0.81551836 L 2 1 0.50746974 0.78100062 0.65148993 2 2.23562751 0.28752950 0.48768552 L 1 1 10.69908170 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(5,'Ne','NEON S 3 1 1451.46006052 0.03243674 2 218.80907282 0.23265762 3 49.29660639 0.81620225 L 2 1 0.63139230 0.77597368 0.64847256 2 2.81447474 0.29455064 0.49285246 L 1 1 13.38895401 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(5,'Na','SODIUM S 3 1 7320.01017255 0.02330366 2 1099.21475690 0.17562017 3 248.47102766 0.86488331 L 3 1 68.10517280 0.35402828 0.04620771 2 20.86612762 0.57357508 0.21347098 3 6.49460139 0.16735016 0.82763041 L 2 1 2.02508269 0.55189794 0.61044572 2 0.60635153 0.51011058 0.48877599 L 1 1 0.04204431 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(5,'Mg','MAGNESIUM S 3 1 9468.12001271 0.02306231 2 1421.53310401 0.17358024 3 321.28960847 0.86656933 L 3 1 88.08064448 0.32783062 0.04567364 2 27.01701160 0.57073610 0.21085454 3 8.58718567 0.19859933 0.82810900 L 2 1 2.74393227 0.48410538 0.60906292 2 0.85790107 0.57355367 0.48389573 L 1 1 0.07206199 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(5,'Al','ALUMINUM S 3 1 11793.72923854 0.02289401 2 1770.45604036 0.17213922 3 400.06339907 0.86776492 L 3 1 109.64007023 0.31053456 0.04518149 2 33.64784884 0.56662400 0.20928045 3 10.83737466 0.22119953 0.82842769 L 2 1 3.52543096 0.44069202 0.61177585 2 1.14261480 0.61258277 0.47588924 L 1 1 0.11329401 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(5,'Si','SILICON S 3 1 13955.62828382 0.02280973 2 2094.81304780 0.17143469 3 473.12990622 0.86836878 L 3 1 129.47403982 0.30616268 0.02280973 2 39.69162349 0.56633497 0.20971725 3 12.82658551 0.22599843 0.82791361 L 2 1 4.22201068 0.43766794 0.62814268 2 1.41747555 0.61251885 0.45369543 L 1 1 0.16388839 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(5,'P','PHOSPHORUS S 3 1 15151.94544206 0.02286522 2 2274.34114677 0.17211413 3 513.08292993 0.86787870 L 3 1 139.82036038 0.32700602 0.02286522 2 42.66229825 0.57438945 0.21457368 3 13.59162817 0.19529712 0.82515660 L 2 1 4.47317336 0.52884813 0.68437788 2 1.55838863 0.51967461 0.38812323 L 1 1 0.22034376 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(5,'S','SULFUR S 3 1 12715.98885260 0.02351515 2 1909.10567091 0.17838697 3 429.10047704 0.86294128 L 3 1 115.28566038 0.45398660 0.05086938 2 34.54429948 0.56134562 0.25016598 3 10.43210743 0.06479410 0.79886860 L 2 1 0.78345876 0.16040437 0.34297956 2 0.21432503 0.87484226 0.75275946 L 1 1 3.22980606 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(5,'Cl','CHLORINE S 3 1 14500.35608106 0.02344138 2 2176.80649430 0.17792925 3 488.98549689 0.86335580 L 3 1 131.13866026 0.45303954 0.05090772 2 39.21942166 0.56317356 0.25001320 3 11.88944993 0.06363089 0.79862678 L 2 1 0.86996225 0.23130821 0.39700121 2 0.24627185 0.81374263 0.70223876 L 1 1 3.72213855 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(5,'Ar','ARGON S 3 1 16573.92190582 0.02334667 2 2487.85495144 0.17728956 3 558.59858877 0.86391334 L 3 1 149.60980979 0.44744675 0.05057537 2 44.69492563 0.56627977 0.24944607 3 13.60706499 0.06672096 0.79882484 L 2 1 1.00805419 0.26333730 0.42617459 2 0.28776986 0.78554563 0.67513936 L 1 1 4.30954676 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(6,'H','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'); INSERT INTO "data_tab" VALUES(6,'Li','LITHIUM S 3 1 36.8382000 0.0696686 2 5.4817200 0.3813460 3 1.1132700 0.6817020 L 2 1 0.5402050 -0.2631270 0.1615460 2 0.1022550 1.1433900 0.9156630 L 1 1 0.0285650 1.0000000 1.0000000 L 1 1 0.0074000 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(6,'Be','BERYLLIUM S 3 1 71.8876000 0.0644263 2 10.7289000 0.3660960 3 2.2220500 0.6959340 L 2 1 1.2954800 -0.4210640 0.2051320 2 0.2688810 1.2240700 0.8825280 L 1 1 0.0773500 1.0000000 1.0000000 L 1 1 0.0207000 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(6,'B','BORON S 3 1 116.4340000 0.0629605 2 17.4314000 0.3633040 3 3.6801600 0.6972550 L 2 1 2.2818700 -0.3686620 0.2311520 2 0.4652480 1.1994400 0.8667640 L 1 1 0.1243280 1.0000000 1.0000000 L 1 1 0.0315000 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(6,'C','CARBON S 3 1 172.2560000 0.0617669 2 25.9109000 0.3587940 3 5.5333500 0.7007130 L 2 1 3.6649800 -0.3958970 0.2364600 2 0.7705450 1.2158400 0.8606190 L 1 1 0.1958570 1.0000000 1.0000000 L 1 1 0.0438000 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(6,'N','NITROGEN S 3 1 242.7660000 0.0598657 2 36.4851000 0.3529550 3 7.8144900 0.7065130 L 2 1 5.4252200 -0.4133010 0.2379720 2 1.1491500 1.2244200 0.8589530 L 1 1 0.2832050 1.0000000 1.0000000 L 1 1 0.0639000 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(6,'O','OXYGEN S 3 1 322.0370000 0.0592394 2 48.4308000 0.3515000 3 10.4206000 0.7076580 L 2 1 7.4029400 -0.4044530 0.2445860 2 1.5762000 1.2215600 0.8539550 L 1 1 0.3736840 1.0000000 1.0000000 L 1 1 0.0845000 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(6,'F','FLUORINE S 3 1 413.8010000 0.0585483 2 62.2446000 0.3493080 3 13.4340000 0.7096320 L 2 1 9.7775900 -0.4073270 0.2466800 2 2.0861700 1.2231400 0.8523210 L 1 1 0.4823830 1.0000000 1.0000000 L 1 1 0.1076000 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(6,'Ne','NEON S 3 1 515.7240000 0.0581430 2 77.6538000 0.3479510 3 16.8136000 0.7107140 L 2 1 12.4830000 -0.4099220 0.2474600 2 2.6645100 1.2243100 0.8517430 L 1 1 0.6062500 1.0000000 1.0000000 L 1 1 0.1300000 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(6,'Na','SODIUM S 3 1 547.6130000 0.0674911 2 82.0678000 0.3935050 3 17.6917000 0.6656050 L 3 1 17.5407000 -0.1119370 0.1282330 2 3.7939800 0.2546540 0.4715330 3 0.9064410 0.8444170 0.6042730 L 2 1 0.5018240 -0.2196600 0.0090665 2 0.0609458 1.0891200 0.9972020 L 1 1 0.0244349 1.0000000 1.0000000 L 1 1 0.0076000 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(6,'Mg','MAGNESIUM S 3 1 652.8410000 0.0675982 2 98.3805000 0.3917780 3 21.2996000 0.6666610 L 3 1 23.3727000 -0.1102460 0.1210140 2 5.1995300 0.1841190 0.4628100 3 1.3150800 0.8963990 0.6069070 L 2 1 0.6113490 -0.3611010 0.0242633 2 0.1418410 1.2150500 0.9866730 L 1 1 0.0464011 1.0000000 1.0000000 L 1 1 0.0146000 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(6,'Al','ALUMINUM S 3 1 775.7370000 0.0668347 2 116.9520000 0.3890610 3 25.3326000 0.6694680 L 3 1 29.4796000 -0.1079020 0.1175740 2 6.6331400 0.1462450 0.4611740 3 1.7267500 0.9237300 0.6055350 L 2 1 0.9461600 -0.3203270 0.0519383 2 0.2025060 1.1841200 0.9726600 L 1 1 0.0639088 1.0000000 1.0000000 L 1 1 0.0318000 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(6,'Si','SILICON S 3 1 910.6550000 0.0660823 2 137.3360000 0.3862290 3 29.7601000 0.6723800 L 3 1 36.6716000 -0.1045110 0.1133550 2 8.3172900 0.1074100 0.4575780 3 2.2164500 0.9514460 0.6074270 L 2 1 1.0791300 -0.3761080 0.0671030 2 0.3024220 1.2516500 0.9568830 L 1 1 0.0933392 1.0000000 1.0000000 L 1 1 0.0331000 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(6,'P','PHOSPHORUS S 3 1 1054.9000000 0.0655410 2 159.1950000 0.3840360 3 34.5304000 0.6745410 L 3 1 44.2866000 -0.1021300 0.1108510 2 10.1019000 0.0815920 0.4564950 3 2.7399700 0.9697880 0.6069360 L 2 1 1.2186500 -0.3714950 0.0915820 2 0.3955460 1.2709900 0.9349240 L 1 1 0.1228110 1.0000000 1.0000000 L 1 1 0.0348000 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(6,'S','SULFUR S 3 1 1210.6200000 0.0650070 2 182.7470000 0.3820400 3 39.6673000 0.6765450 L 3 1 52.2236000 -0.1003100 0.1096460 2 11.9629000 0.0650880 0.4576490 3 3.2891100 0.9814550 0.6042610 L 2 1 1.2238400 -0.2860890 0.1647770 2 0.4573030 1.2280600 0.8708550 L 1 1 0.1422690 1.0000000 1.0000000 L 1 1 0.0405000 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(6,'Cl','CHLORINE S 3 1 1376.4000000 0.0645827 2 207.8570000 0.3803630 3 45.1554000 0.6781900 L 3 1 60.8014000 -0.0987639 0.1085980 2 13.9765000 0.0511338 0.4586820 3 3.8871000 0.9913370 0.6019620 L 2 1 1.3529900 -0.2224010 0.2192160 2 0.5269550 1.1825200 0.8223210 L 1 1 0.1667140 1.0000000 1.0000000 L 1 1 0.0483000 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(6,'Ar','ARGON S 3 1 1553.7100000 0.0641707 2 234.6780000 0.3787970 3 51.0121000 0.6797520 L 3 1 70.0453000 -0.0974661 0.1076190 2 16.1473000 0.0390569 0.4595760 3 4.5349200 0.9999160 0.6000410 L 2 1 1.5420900 -0.1768660 0.2556870 2 0.6072670 1.1469000 0.7898420 L 1 1 0.1953730 1.0000000 1.0000000 L 1 1 0.0600000 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(6,'K','POTASSIUM S 3 1 1721.1755000 0.0648747 2 260.0163300 0.3808593 3 56.6245540 0.6773681 L 3 1 71.5572000 -0.1093429 0.1339654 2 15.4389400 0.1130640 0.5302673 3 4.4745510 0.9462575 0.5117992 L 3 1 4.1212750 -0.2699730 0.01994922 2 1.1886210 0.3646323 0.43402130 3 0.3756740 0.8107533 0.64532260 L 2 1 0.2445770 -0.2688250 0.0003081035 2 0.0389720 1.1289830 0.9998787 L 1 1 0.0160630 1.0000000 1.0000000 L 1 1 0.0047000 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(6,'Ca','CALCIUM S 3 1 1915.4348000 0.0646240 2 289.5332400 0.3798380 3 63.1063520 0.6783290 L 3 1 80.3974400 -0.1093030 0.1354330 2 17.3307500 0.1089000 0.5372220 3 5.0836240 0.9492770 0.5018040 L 3 1 4.7822290 -0.2816070 0.0190090 2 1.4625580 0.3410510 0.4360380 3 0.4792230 0.8381040 0.6386710 L 2 1 0.4396820 -0.2697050 0.0003080 2 0.0591300 1.1132930 0.9998960 L 1 1 0.0238970 1.0000000 1.0000000 L 1 1 0.0071000 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(7,'H','HYDROGEN S 2 1 5.4471780 0.1562850 2 0.8245470 0.9046910 S 1 1 0.1831920 1.0000000'); INSERT INTO "data_tab" VALUES(7,'He','HELIUM S 2 1 13.6267000 0.1752300 2 1.9993500 0.8934830 S 1 1 0.3829930 1.0000000'); INSERT INTO "data_tab" VALUES(7,'Li','LITHIUM S 3 1 36.8382000 0.0696686 2 5.4817200 0.3813460 3 1.1132700 0.6817020 L 2 1 0.5402050 -0.2631270 0.1615460 2 0.1022550 1.1433900 0.9156630 L 1 1 0.0285650 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(7,'Be','BERYLLIUM S 3 1 71.8876000 0.0644263 2 10.7289000 0.3660960 3 2.2220500 0.6959340 L 2 1 1.2954800 -0.4210640 0.2051320 2 0.2688810 1.2240700 0.8825280 L 1 1 0.0773500 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(7,'B','BORON S 3 1 116.4340000 0.0629605 2 17.4314000 0.3633040 3 3.6801600 0.6972550 L 2 1 2.2818700 -0.3686620 0.2311520 2 0.4652480 1.1994400 0.8667640 L 1 1 0.1243280 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(7,'C','CARBON S 3 1 172.2560000 0.0617669 2 25.9109000 0.3587940 3 5.5333500 0.7007130 L 2 1 3.6649800 -0.3958970 0.2364600 2 0.7705450 1.2158400 0.8606190 L 1 1 0.1958570 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(7,'N','NITROGEN S 3 1 242.7660000 0.0598657 2 36.4851000 0.3529550 3 7.8144900 0.7065130 L 2 1 5.4252200 -0.4133010 0.2379720 2 1.1491500 1.2244200 0.8589530 L 1 1 0.2832050 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(7,'O','OXYGEN S 3 1 322.0370000 0.0592394 2 48.4308000 0.3515000 3 10.4206000 0.7076580 L 2 1 7.4029400 -0.4044530 0.2445860 2 1.5762000 1.2215600 0.8539550 L 1 1 0.3736840 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(7,'F','FLUORINE S 3 1 413.8010000 0.0585483 2 62.2446000 0.3493080 3 13.4340000 0.7096320 L 2 1 9.7775900 -0.4073270 0.2466800 2 2.0861700 1.2231400 0.8523210 L 1 1 0.4823830 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(7,'Ne','NEON S 3 1 515.7240000 0.0581430 2 77.6538000 0.3479510 3 16.8136000 0.7107140 L 2 1 12.4830000 -0.4099220 0.2474600 2 2.6645100 1.2243100 0.8517430 L 1 1 0.6062500 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(7,'Na','SODIUM S 3 1 547.6130000 0.0674911 2 82.0678000 0.3935050 3 17.6917000 0.6656050 L 3 1 17.5407000 -0.1119370 0.1282330 2 3.7939800 0.2546540 0.4715330 3 0.9064410 0.8444170 0.6042730 L 2 1 0.5018240 -0.2196600 0.0090665 2 0.0609458 1.0891200 0.9972020 L 1 1 0.0244349 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(7,'Mg','MAGNESIUM S 3 1 652.8410000 0.0675982 2 98.3805000 0.3917780 3 21.2996000 0.6666610 L 3 1 23.3727000 -0.1102460 0.1210140 2 5.1995300 0.1841190 0.4628100 3 1.3150800 0.8963990 0.6069070 L 2 1 0.6113490 -0.3611010 0.0242633 2 0.1418410 1.2150500 0.9866730 L 1 1 0.0464011 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(7,'Al','ALUMINUM S 3 1 775.7370000 0.0668347 2 116.9520000 0.3890610 3 25.3326000 0.6694680 L 3 1 29.4796000 -0.1079020 0.1175740 2 6.6331400 0.1462450 0.4611740 3 1.7267500 0.9237300 0.6055350 L 2 1 0.9461600 -0.3203270 0.0519383 2 0.2025060 1.1841200 0.9726600 L 1 1 0.0639088 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(7,'Si','SILICON S 3 1 910.6550000 0.0660823 2 137.3360000 0.3862290 3 29.7601000 0.6723800 L 3 1 36.6716000 -0.1045110 0.1133550 2 8.3172900 0.1074100 0.4575780 3 2.2164500 0.9514460 0.6074270 L 2 1 1.0791300 -0.3761080 0.0671030 2 0.3024220 1.2516500 0.9568830 L 1 1 0.0933392 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(7,'P','PHOSPHORUS S 3 1 1054.9000000 0.0655410 2 159.1950000 0.3840360 3 34.5304000 0.6745410 L 3 1 44.2866000 -0.1021300 0.1108510 2 10.1019000 0.0815920 0.4564950 3 2.7399700 0.9697880 0.6069360 L 2 1 1.2186500 -0.3714950 0.0915820 2 0.3955460 1.2709900 0.9349240 L 1 1 0.1228110 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(7,'S','SULFUR S 3 1 1210.6200000 0.0650070 2 182.7470000 0.3820400 3 39.6673000 0.6765450 L 3 1 52.2236000 -0.1003100 0.1096460 2 11.9629000 0.0650880 0.4576490 3 3.2891100 0.9814550 0.6042610 L 2 1 1.2238400 -0.2860890 0.1647770 2 0.4573030 1.2280600 0.8708550 L 1 1 0.1422690 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(7,'Cl','CHLORINE S 3 1 1376.4000000 0.0645827 2 207.8570000 0.3803630 3 45.1554000 0.6781900 L 3 1 60.8014000 -0.0987639 0.1085980 2 13.9765000 0.0511338 0.4586820 3 3.8871000 0.9913370 0.6019620 L 2 1 1.3529900 -0.2224010 0.2192160 2 0.5269550 1.1825200 0.8223210 L 1 1 0.1667140 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(7,'Ar','ARGON S 3 1 1553.7100000 0.0641707 2 234.6780000 0.3787970 3 51.0121000 0.6797520 L 3 1 70.0453000 -0.0974661 0.1076190 2 16.1473000 0.0390569 0.4595760 3 4.5349200 0.9999160 0.6000410 L 2 1 1.5420900 -0.1768660 0.2556870 2 0.6072670 1.1469000 0.7898420 L 1 1 0.1953730 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(7,'K','POTASSIUM S 3 1 1721.1755000 0.0648747 2 260.0163300 0.3808593 3 56.6245540 0.6773681 L 3 1 71.5572000 -0.1093429 0.1339654 2 15.4389400 0.1130640 0.5302673 3 4.4745510 0.9462575 0.5117992 L 3 1 4.1212750 -0.2699730 0.01994922 2 1.1886210 0.3646323 0.43402130 3 0.3756740 0.8107533 0.64532260 L 2 1 0.2445770 -0.2688250 0.0003081035 2 0.0389720 1.1289830 0.9998787 L 1 1 0.0160630 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(7,'Ca','CALCIUM S 3 1 1915.4348000 0.0646240 2 289.5332400 0.3798380 3 63.1063520 0.6783290 L 3 1 80.3974400 -0.1093030 0.1354330 2 17.3307500 0.1089000 0.5372220 3 5.0836240 0.9492770 0.5018040 L 3 1 4.7822290 -0.2816070 0.0190090 2 1.4625580 0.3410510 0.4360380 3 0.4792230 0.8381040 0.6386710 L 2 1 0.4396820 -0.2697050 0.0003080 2 0.0591300 1.1132930 0.9998960 L 1 1 0.0238970 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(7,'Sc','SCANDIUM S 3 1 2119.8870000 0.0644210 2 320.4299000 0.3791600 3 69.8989300 0.6789630 L 3 1 89.7645000 -0.1093840 0.1363280 2 19.3851000 0.1050700 0.5418600 3 5.7314230 0.9522050 0.4950550 L 3 1 5.4919380 -0.2852110 0.0176140 2 1.7437420 0.3241550 0.4336450 3 0.5662270 0.8565920 0.6425510 L 2 1 0.5168020 -0.2626780 0.0003270 2 0.0672140 1.1080790 0.9998930 L 1 1 0.0259850 1.0000000 1.0000000 D 2 1 5.7222150 0.2652360 2 1.3608490 0.8558610 D 1 1 0.3226520 1.0000000'); INSERT INTO "data_tab" VALUES(7,'Ti','TITANIUM S 3 1 2335.0200000 0.0642170 2 353.0441000 0.3784120 3 77.0584500 0.6796810 L 3 1 99.5738700 -0.1094720 0.1372970 2 21.5467100 0.1019430 0.5458750 3 6.4139650 0.9546220 0.4890680 L 3 1 6.2382790 -0.2861370 0.0192370 2 1.9961080 0.3218280 0.4404420 3 0.6464900 0.8595510 0.6356200 L 2 1 0.5732850 -0.2424500 0.0002920 2 0.0731190 1.1000750 0.9999070 L 1 1 0.0265380 1.0000000 1.0000000 D 2 1 7.0836660 0.2629210 2 1.7096340 0.8557720 D 1 1 0.4141230 1.0000000'); INSERT INTO "data_tab" VALUES(7,'V','VANADIUM S 3 1 2563.8770000 0.0639480 2 387.5340000 0.3775940 3 84.5982300 0.6805420 L 3 1 109.7938000 -0.1098360 0.1384210 2 23.7692100 0.1007070 0.5504890 3 7.1229610 0.9556330 0.4824170 L 3 1 6.9812040 -0.2884590 0.0218210 2 2.2198390 0.3364360 0.4567620 3 0.7198030 0.8481900 0.6186750 L 2 1 0.6312620 -0.2364900 0.0001900 2 0.0800620 1.0977210 0.9999400 L 1 1 0.0288650 1.0000000 1.0000000 D 2 1 8.3429170 0.2640620 2 2.0329440 0.8539660 D 1 1 0.4957120 1.0000000'); INSERT INTO "data_tab" VALUES(7,'Cr','CHROMIUM S 3 1 2798.2940000 0.0638240 2 423.1370000 0.3770840 3 92.4388600 0.6809890 L 3 1 120.2806000 -0.1177790 0.1398780 2 26.0372700 0.1014310 0.5559830 3 7.8441720 0.9571980 0.4748180 L 3 1 7.7932760 -0.2888570 0.0221850 2 2.4971960 0.3351150 0.4616250 3 0.8051420 0.8502480 0.6145390 L 2 1 0.7039210 -0.2322510 0.0001800 2 0.0861620 1.0936710 0.9999450 L 1 1 0.0321990 1.0000000 1.0000000 D 2 1 9.6253390 0.2655960 2 2.3622640 0.8521560 D 1 1 0.5770940 1.0000000'); INSERT INTO "data_tab" VALUES(7,'Mn','MANGANESE S 3 1 3041.6860000 0.0637450 2 460.0901000 0.3767490 3 100.5958000 0.6812470 L 3 1 131.7673000 -0.1102960 0.1404540 2 28.5691500 0.0981900 0.5578020 3 8.6605010 0.9576590 0.4715010 L 3 1 8.5690810 -0.2917140 0.0242240 2 2.7681780 0.3439630 0.4686600 3 0.8872880 0.8451980 0.6074210 L 2 1 0.7674430 -0.2300040 0.0003080 2 0.0920250 1.0914500 0.9999070 L 1 1 0.0332650 1.0000000 1.0000000 D 2 1 11.0688400 0.2652720 2 2.7307070 0.8517950 D 1 1 0.6685090 1.0000000'); INSERT INTO "data_tab" VALUES(7,'Fe','IRON S 3 1 3299.1840000 0.0635860 2 499.0886000 0.3762020 3 109.1614000 0.6817850 L 3 1 143.4652000 -0.1105520 0.1411010 2 31.1685800 0.0968470 0.5603870 3 9.4836120 0.9587970 0.4676440 L 3 1 9.4645650 -0.2920560 0.0237620 2 3.1003730 0.3375240 0.4689110 3 0.9864930 0.8519420 0.6083110 L 2 1 0.8534120 -0.2279440 -0.0004260 2 0.0988120 1.0882870 1.0001240 L 1 1 0.0364420 1.0000000 1.0000000 D 2 1 12.3544900 0.2686110 2 3.0556050 0.8492720 D 1 1 0.7385910 1.0000000'); INSERT INTO "data_tab" VALUES(7,'Co','COBALT S 3 1 3564.7620000 0.0634870 2 539.3908000 0.3758180 3 118.0449000 0.6821220 L 3 1 155.4382000 -0.1109870 0.1420640 2 33.8156100 0.0967670 0.5634440 3 10.3332300 0.9589920 0.4630240 L 3 1 10.3815200 -0.2922620 0.0263130 2 3.3827140 0.3432510 0.4769170 3 1.0769540 0.8469630 0.5991540 L 2 1 0.9090150 -0.2174600 0.0002280 2 0.1050410 1.0849980 0.9999340 L 1 1 0.0372570 1.0000000 1.0000000 D 2 1 13.7407000 0.2709550 2 3.4089830 0.8473420 D 1 1 0.8186410 1.0000000'); INSERT INTO "data_tab" VALUES(7,'Ni','NICKEL S 3 1 3848.0050000 0.0632660 2 582.0307000 0.3751710 3 127.3674000 0.6828240 L 3 1 168.2896000 -0.1111150 0.1424900 2 36.6563300 0.0953240 0.5655470 3 11.2321200 0.9601610 0.4599930 L 3 1 11.3587700 -0.2920600 0.0261380 2 3.7388460 0.3375410 0.4765980 3 1.1824630 0.8525330 0.6003800 L 2 1 0.9889040 -0.2136870 0.0002940 2 0.1110250 1.0819330 0.9999170 L 1 1 0.0392580 1.0000000 1.0000000 D 2 1 15.2206900 0.2726060 2 3.7860200 0.8459280 D 1 1 0.9045570 1.0000000'); INSERT INTO "data_tab" VALUES(7,'Cu','COPPER S 3 1 4134.3020000 0.0631880 2 625.4912000 0.3748450 3 136.9556000 0.6831000 L 3 1 181.4960000 -0.1113200 0.1430840 2 39.5743100 0.0944870 0.5677560 3 12.1624600 0.9608790 0.4567140 L 3 1 12.3511100 -0.2922230 0.0277270 2 4.0496510 0.3429910 0.4835240 3 1.2792250 0.8479460 0.5929780 L 2 1 1.0498040 -0.2065080 0.0001390 2 0.1169330 1.0792730 0.9999610 L 1 1 0.0007510 1.0000000 1.0000000 D 2 1 16.7593800 0.2741120 2 4.1789770 0.8446250 D 1 1 0.9943270 1.0000000'); INSERT INTO "data_tab" VALUES(7,'Zn','ZINC S 3 1 4432.2880000 0.0630930 2 670.6601000 0.3745040 3 146.9024000 0.6834160 L 3 1 195.0042000 -0.1116280 0.1438060 2 42.5688900 0.0943360 0.5700020 3 13.1214300 0.9611000 0.4533120 L 3 1 13.4023100 -0.2917810 0.0287050 2 4.3999060 0.3426140 0.4862520 3 1.3851480 0.8482840 0.5902350 L 2 1 1.1215580 -0.2023710 0.0003440 2 0.1229440 1.0770350 0.9999050 L 1 1 0.0421930 1.0000000 1.0000000 D 2 1 18.3682000 0.2753860 2 4.5913040 0.8434770 D 1 1 1.0902030 1.0000000'); INSERT INTO "data_tab" VALUES(7,'Ga','GALLIUM S 3 1 4751.8979000 0.0628400 2 718.9205400 0.3736110 3 157.4459200 0.6843630 L 3 1 209.5834000 -0.1115160 0.1442660 2 45.6917100 0.0926960 0.5731780 3 14.1329700 0.9622870 0.4490860 L 3 1 14.5995400 0.2910290 0.0265620 2 4.8608420 -0.3231880 0.4833140 3 1.5491110 -0.8643910 0.5924300 L 2 1 1.2679430 -0.2851310 0.0301830 2 0.1883990 1.1280220 0.9884660 L 1 1 0.0572370 1.0000000 1.0000000 D 3 1 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1.0000000 1.0000000 D 3 1 27.4372090 0.1544950 2 7.0840440 0.5114320 3 1.8558230 0.5821940'); INSERT INTO "data_tab" VALUES(7,'Se','SELENIUM S 3 1 5751.3215000 0.0624930 2 870.2572100 0.3723680 3 190.7294900 0.6855800 L 3 1 255.0164000 -0.1119080 0.1461490 2 55.5765400 0.0909990 0.5813710 3 17.3566100 0.9636680 0.4374600 L 3 1 18.4456800 -0.2917930 0.0244210 2 6.3287590 0.2846210 0.4833650 3 2.0967580 0.8973050 0.5879040 L 2 1 1.8726330 -0.5677640 0.0282550 2 0.4174740 1.2941270 0.9849060 L 1 1 0.1370910 1.0000000 1.0000000 D 3 1 30.6274640 0.1519860 2 7.9712760 0.5116400 3 2.1348100 0.5786940'); INSERT INTO "data_tab" VALUES(7,'Br','BROMINE S 3 1 6103.2899000 0.0624180 2 923.6974300 0.3720410 3 202.5203100 0.6858730 L 3 1 270.6015000 -0.1121490 0.1477510 2 58.2535700 0.0931450 0.6010560 3 18.4693300 0.9616790 0.4128700 L 3 1 19.7614200 -0.2938700 0.0250070 2 6.8217520 0.2802660 0.4866100 3 2.2916290 0.9020360 0.5824230 L 2 1 2.1312060 -0.6518030 0.0287080 2 0.4993540 1.3360120 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1.0000000'); INSERT INTO "data_tab" VALUES(26,'Mg','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 L 6 1 189.1800000 -0.0032372 0.0049281 2 45.2119000 -0.0410080 0.0349890 3 14.3563000 -0.1126000 0.1407250 4 5.1388600 0.1486330 0.3336420 5 1.9065200 0.6164970 0.4449400 6 0.7058870 0.3648290 0.2692540 L 3 1 0.9293400 -0.2122900 -0.0224190 2 0.2690350 -0.1079850 0.1922700 3 0.1173790 1.1758400 0.8461810 L 1 1 0.0421061 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(26,'Al','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 L 6 1 239.6680000 -0.00292619 0.00460285 2 57.4419000 -0.0374080 0.0331990 3 18.2859000 -0.1144870 0.1362820 4 6.5991400 0.1156350 0.3304760 5 2.4904900 0.6125950 0.4491460 6 0.9445400 0.3937990 0.2657040 L 3 1 1.2779000 -0.2276060 -0.0175130 2 0.3975900 0.00144583 0.2445330 3 0.1600950 1.0927900 0.8049340 L 1 1 0.0556577 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(26,'Si','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 L 6 1 292.7180000 -0.00278094 0.00443826 2 69.8731000 -0.03571460 0.03266790 3 22.3363000 -0.11498500 0.13472100 4 8.1503900 0.09356340 0.32867800 5 3.1345800 0.60301700 0.44964000 6 1.2254300 0.41895900 0.26137200 L 3 1 1.7273800 -0.24463000 -0.01779510 2 0.5729220 0.00431572 0.25353900 3 0.2221920 1.09818000 0.80066900 L 1 1 0.0778369 1.00000000 1.00000000'); INSERT INTO "data_tab" VALUES(26,'P','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 L 6 1 339.4780000 -0.00278217 0.00456462 2 81.0101000 -0.0360499 0.03369360 3 25.8780000 -0.1166310 0.13975500 4 9.4522100 0.0968328 0.33936200 5 3.6656600 0.6144180 0.45092100 6 1.4674600 0.4037980 0.23858600 L 3 1 2.1562300 -0.2529230 -0.01776530 2 0.7489970 0.0328517 0.27405800 3 0.2831450 1.0812500 0.78542100 L 1 1 0.0998317 1.0000000 1.00000000'); INSERT INTO "data_tab" VALUES(26,'S','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 L 6 1 423.7350000 -0.0023767 0.0040610 2 100.7100000 -0.0316930 0.0306810 3 32.1599000 -0.1133170 0.1304520 4 11.8079000 0.0560900 0.3272050 5 4.6311000 0.5922550 0.4528510 6 1.8702500 0.4550060 0.2560420 L 3 1 2.6158400 -0.2503740 -0.0145110 2 0.9221670 0.0669570 0.3102630 3 0.3412870 1.0545100 0.7544830 L 1 1 0.1171670 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(26,'Cl','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 L 6 1 491.7650000 -0.0022974 0.0039894 2 116.9840000 -0.0307140 0.0303180 3 37.4153000 -0.1125280 0.1298800 4 13.7834000 0.0450160 0.3279510 5 5.4521500 0.5893530 0.4535270 6 2.2258800 0.4652060 0.2521540 L 3 1 3.1864900 -0.2518300 -0.0142990 2 1.1442700 0.0615890 0.3235720 3 0.4203770 1.0601800 0.7435070 L 1 1 0.1426570 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(26,'Ar','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 L 6 1 575.8910000 -0.00215972 0.00380665 2 136.8160000 -0.02907750 0.02923050 3 43.8098000 -0.11082700 0.12646700 4 16.2094000 0.02769990 0.32351000 5 6.4608400 0.57761300 0.45489600 6 2.6511400 0.48868800 0.25663000 L 3 1 3.8602800 -0.2555920 -0.01591970 2 1.4137300 0.0378066 0.32464600 3 0.5166460 1.0805600 0.74399000 L 1 1 0.1738880 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(26,'K','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 L 6 1 622.7625000 -2.502976E-03 4.094637E-03 2 147.8839000 -3.315550E-02 3.145199E-02 3 47.3273500 -1.226387E-01 1.351558E-01 4 17.5149500 5.353643E-02 3.390500E-01 5 6.9227220 6.193860E-01 4.629455E-01 6 2.7682770 4.345878E-01 2.242638E-01 L 6 1 11.8480200 1.277689E-02 -1.221377E-02 2 4.0792110 2.098767E-01 -6.900537E-03 3 1.7634810 -3.095274E-03 2.007466E-01 4 0.7889270 -5.593884E-01 4.281332E-01 5 0.3503870 -5.134760E-01 3.970156E-01 6 0.1463440 -6.598035E-02 1.104718E-01 L 3 1 0.7168010 -5.237772E-02 0.0316430 2 0.2337410 -2.798503E-01 -0.0404616 3 0.0386750 1.141547E+00 1.0120290 L 1 1 0.0165210 1.000000E+00 1.00000000'); INSERT INTO "data_tab" VALUES(26,'Ca','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 L 6 1 706.3096000 2.448225E-03 4.020371E-03 2 167.8187000 3.241504E-02 3.100601E-02 3 53.8255800 1.226219E-01 1.337279E-01 4 20.0163800 -4.316965E-02 3.367983E-01 5 7.9702790 -6.126995E-01 4.631281E-01 6 3.2120590 -4.487540E-01 2.257532E-01 L 6 1 14.1951800 1.084500E-02 -1.289621E-02 2 4.8808280 2.088333E-01 -1.025198E-02 3 2.1603900 3.150338E-02 1.959781E-01 4 0.9878990 -5.526518E-01 4.357933E-01 5 0.4495170 -5.437997E-01 3.996452E-01 6 0.1873870 -6.669342E-02 9.713636E-02 L 3 1 1.0322710 -4.439720E-02 -0.4298621 2 0.3811710 -3.284563E-01 0.006935829 3 0.0651310 1.163010E+00 0.9705933 L 1 1 0.0260100 1.000000E+00 1.00000000'); INSERT INTO "data_tab" VALUES(26,'Sc','SCANDIUM S 6 1 39088.9800000 1.803263E-03 2 5869.7920000 1.380769E-02 3 1336.9100000 6.800396E-02 4 376.6031000 2.347099E-01 5 120.4679000 4.815690E-01 6 40.9803200 3.445652E-01 L 6 1 786.2852000 2.451863E-03 4.039530E-03 2 186.8870000 3.259579E-02 3.122570E-02 3 60.0093500 1.238242E-01 1.349833E-01 4 22.2588300 -4.359890E-02 3.424793E-01 5 8.8851490 -6.177181E-01 4.623113E-01 6 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1.000000E+00 1.00000000 D 3 1 28.1914700 9.098881E-02 2 7.5235840 3.958208E-01 3 2.2712280 6.947154E-01 D 1 1 0.6116030 1.0000000 F 1 1 0.8000000 1.0000000'); INSERT INTO "data_tab" VALUES(29,'Cu','COPPER S 6 1 76794.3800000 1.748161E-03 2 11530.7000000 1.339602E-02 3 2626.5750000 6.610885E-02 4 740.4903000 2.298265E-01 5 237.3528000 4.787675E-01 6 81.1581800 3.530739E-01 L 6 1 1610.8140000 2.364055E-03 3.963307E-03 2 383.6367000 3.153635E-02 3.110223E-02 3 124.1733000 1.269452E-01 1.361350E-01 4 46.7467800 -2.262840E-02 3.492914E-01 5 19.0656900 -6.192080E-01 4.624780E-01 6 7.8715670 -4.585393E-01 2.020102E-01 L 6 1 64.4573200 -4.331075E-03 -7.523725E-03 2 21.8521200 7.412307E-02 -2.975687E-02 3 9.4053430 2.542108E-01 6.849654E-02 4 3.9991680 -2.874843E-01 4.027141E-01 5 1.6702970 -7.291436E-01 4.908490E-01 6 0.6596270 -2.113951E-01 1.759268E-01 L 3 1 2.6000880 0.05027577 -0.1702911 2 0.9630940 0.2650040 0.09310133 3 0.1361610 -1.1201550 0.9814336 L 1 1 0.0473320 1.000000E+00 1.00000000 D 3 1 30.8534100 9.199905E-02 2 8.2649850 3.985021E-01 3 2.4953320 6.917897E-01 D 1 1 0.6676580 1.0000000 F 1 1 0.8000000 1.0000000'); INSERT INTO "data_tab" VALUES(29,'Zn','ZINC S 6 1 82400.9400000 1.743329E-03 2 12372.5500000 1.335966E-02 3 2818.3510000 6.594365E-02 4 794.5717000 2.294151E-01 5 254.7232000 4.785453E-01 6 87.1388000 3.537753E-01 L 6 1 1732.5690000 2.361459E-03 3.963125E-03 2 412.7149000 3.150177E-02 3.113411E-02 3 133.6780000 1.272774E-01 1.363931E-01 4 50.3858500 -2.145928E-02 3.501266E-01 5 20.5835800 -6.197652E-01 4.623179E-01 6 8.5059400 -4.590180E-01 2.004995E-01 L 6 1 69.3649200 -4.440098E-03 -7.689262E-03 2 23.6208200 7.505253E-02 -2.997982E-02 3 10.1847100 2.533111E-01 7.082411E-02 4 4.3340820 -2.881897E-01 4.046141E-01 5 1.8109180 -7.267052E-01 4.882325E-01 6 0.7148410 -2.133439E-01 1.751970E-01 L 3 1 2.8238420 0.04898543 -0.1586763 2 1.0395430 0.2592793 0.08379327 3 0.1432640 -1.1157110 0.9840547 L 1 1 0.0492960 1.000000E+00 1.00000000 D 3 1 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10.72476847 0.0241764 2 4.98291235 0.9782328 S 2 1 1.37574165 -0.4708395 2 0.66299967 -0.5531306 S 1 1 25.23167009 1.0000000 S 1 1 0.11066351 1.0000000 S 1 1 0.03911478 1.0000000 S 1 1 0.00845739 1.0000000 P 8 1 57867.45693148 0.0003017 2 14466.07282046 0.0023115 3 5096.80289128 0.0110960 4 2035.23445681 0.0457278 5 842.36068729 0.1563409 6 361.46395991 0.3592859 7 161.78689265 0.4275807 8 73.04451373 0.1686739 P 3 1 16.95126547 0.1944961 2 7.8956218 0.4430707 3 3.73415826 0.4458192 P 1 1 35.18821179 1.0000000 P 1 1 1.40958119 1.0000000 P 1 1 0.52307734 1.0000000 P 1 1 0.12434867 1.0000000 P 1 1 0.03469933 1.0000000 P 1 1 0.00734966 1.0000000 D 5 1 1057.31409955 0.0127905 2 315.34985277 0.0955959 3 118.76210977 0.3271263 4 49.52241329 0.5064788 5 21.54470227 0.2564127 D 2 1 9.19880872 -0.7997074 2 3.88284809 -0.2538361 D 1 1 1.23471691 1.0000000 D 1 1 0.35702456 1.0000000 D 1 1 0.10323543 1.0000000 F 4 1 86.31773515 0.0762863 2 27.55700975 0.3264574 3 9.83940823 0.5439810 4 3.31580164 0.3546312 F 1 1 0.8410348 1.0000000 F 1 1 0.21332384 1.0000000'); INSERT INTO "data_tab" VALUES(36,'Hg','MERCURY S 7 1 8239950.19726132 -0.0002309 2 1266363.04736361 -0.0015417 3 304451.90337935 -0.0085521 4 94683.44216671 -0.0238592 5 34649.41196114 -0.0998142 6 13556.16738878 -0.2010489 7 5414.46932168 -0.7422181 S 3 1 2230.74069038 -0.3729360 2 961.04903907 -0.5106408 3 431.10861937 -0.1711456 S 2 1 192.32037861 -0.4020078 2 91.36666406 -0.6218484 S 2 1 36.86513257 0.3490797 2 19.65998319 0.6671662 S 2 1 8.07462828 -0.3832303 2 4.20077513 -0.6350164 S 2 1 1.44233073 0.5899183 2 0.6455606 0.4384790 S 1 1 0.11365974 1.0000000 S 1 1 0.04100423 1.0000000 S 1 1 0.00960211 1.0000000 P 8 1 60787.01041955 0.0002932 2 14869.2765082 0.0023730 3 5090.16046249 0.0119204 4 2023.38268047 0.0475884 5 855.8597162 0.1542457 6 376.7245728 0.3468765 7 172.36081598 0.4212665 8 80.37140666 0.1840754 P 2 1 38.95959627 -0.9473195 2 19.19160459 -0.0608500 P 2 1 8.81214955 0.6107846 2 4.19929574 0.4289177 P 1 1 1.54376913 1.0000000 P 1 1 0.58278433 1.0000000 P 1 1 0.03456805 1.0000000 D 5 1 1056.80286284 0.0134963 2 318.39557947 0.0978041 3 121.35208394 0.3261084 4 51.23045532 0.5002805 5 22.59911902 0.2591220 D 2 1 9.75444378 -0.7924147 2 4.17528976 -0.2606181 D 1 1 1.37038911 1.0000000 D 1 1 0.41818459 1.0000000 D 1 1 0.12761219 1.0000000 F 4 1 91.24709249 0.0742089 2 29.20126842 0.3229938 3 10.47585449 0.5449921 4 3.56209639 0.3549186 F 1 1 0.89764211 1.0000000 F 1 1 0.22620425 1.0000000'); INSERT INTO "data_tab" VALUES(36,'Tl','THALLIUM S 8 1 13591197.89947213 0.0000920 2 2091140.7672869 0.0006949 3 497635.73497037 0.0032807 4 151452.45717247 0.0126688 5 55122.99964791 0.0354390 6 22562.26745899 0.1039403 7 9434.62253175 0.2596529 8 3894.5404853 0.6686442 S 2 1 1623.67424209 0.5475649 2 690.05285559 0.4850466 S 2 1 240.06087308 -0.2365095 2 113.1845603 -0.7815168 S 2 1 47.49468928 0.0808016 2 24.80774739 0.9247715 S 2 1 10.21056725 -0.1255940 2 5.15263035 -0.8835130 S 2 1 1.55149083 0.4875962 2 0.75902855 0.5355308 S 1 1 0.14341272 1.0000000 S 1 1 0.05484856 1.0000000 S 1 1 0.02039428 1.0000000 P 7 1 61688.96859415 0.0003378 2 15413.37608118 0.0025846 3 5465.37660244 0.0121765 4 2202.28024437 0.0498092 5 913.80847287 0.1721862 6 391.80924543 0.4030717 7 175.31195862 0.4925217 P 2 1 18.7434214 0.0204981 2 8.85477772 -1.0172021 P 3 1 4.27664733 0.2309763 2 1.72246137 -0.7050236 3 0.70397466 -0.4966054 P 1 1 79.56334158 1.0000000 P 1 1 38.48896333 1.0000000 P 1 1 0.16174053 1.0000000 P 1 1 0.04912678 1.0000000 P 1 1 0.01468339 1.0000000 D 4 1 1210.33402298 0.0137523 2 361.22274262 0.1054688 3 136.42024408 0.3787515 4 57.25511022 0.6344065 D 3 1 25.36642867 -0.0684195 2 10.87038286 -0.5968938 3 4.66687152 -0.4278046 D 1 1 1.5433144 1.0000000 D 1 1 0.49186169 1.0000000 D 1 1 0.03523084 1.0000000 F 4 1 95.27469602 0.0515037 2 30.58627048 0.2463088 3 11.03123539 0.5262474 4 3.78768483 0.4545162 F 1 1 4.9428424 1.0000000 F 1 1 0.27570494 1.0000000'); INSERT INTO "data_tab" VALUES(36,'Pb','LEAD S 8 1 16101817.42696378 0.0000867 2 2501685.91105671 0.0006605 3 603790.76117644 0.0029384 4 183918.61074164 0.0122601 5 65817.78528359 0.0324672 6 26923.87319476 0.1034321 7 11480.52016566 0.2277244 8 4733.63854167 0.7014476 S 2 1 1933.86650155 -0.4817625 2 800.63844327 -0.5527369 S 3 1 283.00753569 -0.1049292 2 141.1884804 -0.7060940 3 69.34596812 -0.2149620 S 2 1 29.88944688 0.8253503 2 14.07819791 0.1900018 S 2 1 1.87253594 0.2369477 2 0.95302455 0.7777846 S 1 1 5.94869019 1.0000000 S 1 1 0.17626806 1.0000000 S 1 1 0.07210639 1.0000000 S 1 1 0.02795319 1.0000000 P 7 1 63038.71807399 0.0003381 2 15726.12538812 0.0025934 3 5568.78046194 0.0122540 4 2239.89691207 0.0502431 5 927.88499616 0.1737314 6 397.23741535 0.4050123 7 177.41130995 0.4893184 P 2 1 38.73000268 -0.9553275 2 18.75424395 -0.0520316 P 2 1 8.94214058 0.7549975 2 4.33408619 0.2753626 P 2 1 1.81051569 0.6189621 2 0.76030846 0.4344856 P 1 1 80.00889305 1.0000000 P 1 1 0.18654935 1.0000000 P 1 1 0.06157886 1.0000000 P 1 1 0.01988943 1.0000000 D 5 1 1286.00453527 0.0101805 2 383.84880954 0.0789656 3 145.08002717 0.2890666 4 61.02254497 0.4979242 5 27.17767306 0.3133052 D 2 1 11.65515947 -0.7223511 2 5.03437335 -0.3391966 D 1 1 1.69406339 1.0000000 D 1 1 0.55976636 1.0000000 D 1 1 0.04840318 1.0000000 F 4 1 99.86076057 0.0704721 2 32.14098459 0.3136855 3 11.64612633 0.5437133 4 4.03311915 0.3618698 F 1 1 1.09555956 1.0000000 F 1 1 0.29759863 1.0000000'); INSERT INTO "data_tab" VALUES(36,'Bi','BISMUTH S 12 1 16677003.69404605 0.0000293 2 2576495.12335172 0.0002151 3 620736.96637196 0.0010223 4 191858.40211576 0.0037189 5 70254.62390737 0.0111751 6 28480.24395238 0.0313177 7 11750.60198009 0.0876308 8 4799.90146902 0.2173185 9 1980.31376809 0.3848714 10 833.32954976 0.3459107 11 312.86265817 0.0780755 12 158.09670582 -0.0179965 S 2 1 6.41105985 -0.7880788 2 2.31792777 -0.2440893 S 1 1 79.01139628 1.0000000 S 1 1 32.48395092 1.0000000 S 1 1 16.1482773 1.0000000 S 1 1 1.09907022 1.0000000 S 1 1 0.21177426 1.0000000 S 1 1 0.09017853 1.0000000 S 1 1 0.03478926 1.0000000 P 7 1 77648.86511799 0.0002518 2 19165.29223933 0.0020089 3 6527.24277174 0.0105732 4 2504.62453791 0.0467960 5 1012.47610098 0.1666884 6 430.08964295 0.3981537 7 192.05242255 0.5059014 P 2 1 42.48928538 -0.8435000 2 20.87463323 -0.1777559 P 2 1 9.8345717 0.6642515 2 4.80039969 0.3710219 P 2 1 1.98835531 0.6001302 2 0.85463887 0.4512657 P 1 1 87.86788679 1.0000000 P 1 1 0.22150389 1.0000000 P 1 1 0.07641635 1.0000000 P 1 1 0.02620817 1.0000000 D 5 1 1155.85665786 0.0133624 2 348.41014501 0.0974353 3 133.12549186 0.3250578 4 56.51599048 0.4977209 5 25.14322453 0.2615054 D 2 1 11.04820032 -0.8003651 2 4.85800204 -0.2480543 D 1 1 1.74099858 1.0000000 D 1 1 0.59813861 1.0000000 D 1 1 0.0575693 1.0000000 F 4 1 104.43541922 0.0715526 2 33.69733498 0.3177662 3 12.26391379 0.5466323 4 4.28172791 0.3507578 F 1 1 1.15386394 1.0000000 F 1 1 0.31094970 1.0000000'); INSERT INTO "data_tab" VALUES(36,'Po','POLONIUM S 8 1 15993836.50553319 0.0000952 2 2447844.22095386 0.0007341 3 585813.15379550 0.0033104 4 184072.37912718 0.0123956 5 71685.23786305 0.0287739 6 30549.69858266 0.0951199 7 12524.9431319 0.2406486 8 5027.30598103 0.6999843 S 2 1 2054.21360577 0.4786414 2 861.88158249 0.5548467 S 3 1 326.20409545 0.0495463 2 165.31230753 0.6244825 3 82.78915017 0.3515149 S 2 1 33.87397353 -0.6873572 2 17.04344413 -0.3314006 S 2 1 2.58488477 0.0136407 2 1.1958366 0.9877468 S 1 1 6.73579593 1.0000000 S 1 1 0.24054759 1.0000000 S 1 1 0.10403145 1.0000000 S 1 1 0.03481572 1.0000000 P 7 1 71257.88303331 0.0003015 2 17246.21734469 0.0025042 3 5813.50460205 0.0130203 4 2275.3581211 0.0534641 5 948.91593323 0.1774693 6 412.3454211 0.4032473 7 186.48270563 0.4832495 P 2 1 41.56256394 -0.9261748 2 20.34641061 -0.0851651 P 2 1 9.7302743 0.7350020 2 4.7714805 0.2958232 P 2 1 2.04761395 0.6130402 2 0.90094258 0.4352437 P 1 1 85.24656117 1.0000000 P 1 1 0.24953845 1.0000000 P 1 1 0.08417905 1.0000000 P 1 1 0.02998952 1.0000000 D 5 1 1170.48314455 0.0135948 2 353.69760866 0.0979895 3 135.6315301 0.3242067 4 57.83344954 0.4961164 5 25.83878969 0.2625122 D 2 1 11.43547988 -0.8016861 2 5.07155228 -0.2455032 D 1 1 1.86141892 1.0000000 D 1 1 0.65702269 1.0000000 D 1 1 0.06921134 1.0000000 F 4 1 109.22230809 0.0694646 2 35.32392154 0.3134605 3 12.90894264 0.5466473 4 4.5409259 0.3536234 F 1 1 1.23246688 1.0000000 F 1 1 0.33450768 1.0000000'); INSERT INTO "data_tab" VALUES(36,'At','ASTATINE S 8 1 18822494.94677222 0.0000815 2 2919484.83122225 0.0006128 3 702116.65014444 0.0028224 4 212508.2911474 0.0114494 5 75215.32847993 0.0329803 6 30166.4067656 0.1006120 7 12657.30207093 0.2414368 8 5218.92156086 0.6911319 S 2 1 2152.62429589 0.4701914 2 905.23761888 0.5630364 S 3 1 349.24222158 -0.0285504 2 176.86293455 -0.5962003 3 88.1247892 -0.3998967 S 2 1 35.74214444 -0.6368470 2 18.29547972 -0.3822621 S 2 1 7.13944415 -0.9492998 2 2.9797030 -0.0577857 S 1 1 1.30271518 1.0000000 S 1 1 0.27268123 1.0000000 S 1 1 0.12011285 1.0000000 S 1 1 0.04015642 1.0000000 P 7 1 68841.54733327 0.0003315 2 17375.85894681 0.0024717 3 6243.13375473 0.0114535 4 2514.35982528 0.0478797 5 1034.71013463 0.1691140 6 440.81408956 0.4022408 7 196.49244678 0.4983143 P 2 1 43.17165645 -0.9187875 2 21.05718798 -0.0936964 P 2 1 10.06098458 0.7391061 2 4.93588052 0.2913972 P 2 1 2.1503001 0.6186726 2 0.96385078 0.4273337 P 1 1 88.99068696 1.0000000 P 1 1 0.28277246 1.0000000 P 1 1 0.09570244 1.0000000 P 1 1 0.03415122 1.0000000 D 5 1 1255.32821172 0.0124806 2 378.87707926 0.0916407 3 145.14141676 0.3120345 4 61.88556364 0.4959480 5 27.78155702 0.2797266 D 2 1 12.28157689 -0.7780509 2 5.46845303 -0.2722411 D 1 1 2.01848567 1.0000000 D 1 1 0.72617411 1.0000000 D 1 1 0.08088705 1.0000000 F 4 1 114.1528881 0.0682491 2 36.99409937 0.3107899 3 13.57101585 0.5467921 4 4.80747454 0.3544183 F 1 1 1.31073925 1.0000000 F 1 1 0.35736796 1.0000000'); INSERT INTO "data_tab" VALUES(36,'Rn','RADON S 8 1 18681058.46033585 -0.0000903 2 2862206.39138778 -0.0006684 3 679369.11421916 -0.0033012 4 206565.94812377 -0.0119597 5 76282.33667924 -0.0351462 6 32032.77215417 -0.0911087 7 13453.50737892 -0.2638783 8 5494.01415732 -0.6752813 S 3 1 2267.46474705 0.4745851 2 962.57397146 0.5829677 3 393.64712618 -0.0318577 S 2 1 195.32262212 -0.5269075 2 96.18491088 -0.4958412 S 2 1 38.10938707 0.5081782 2 19.92237984 0.5110120 S 2 1 7.59922189 -0.9191117 2 3.45276794 -0.0897175 S 1 1 1.41019014 1.0000000 S 1 1 0.30918559 1.0000000 S 1 1 0.13782779 1.0000000 S 1 1 0.04891389 1.0000000 P 6 1 71646.28014869 0.0005604 2 18421.23857562 0.0040217 3 6681.88035404 0.0187224 4 2662.18364255 0.0810249 5 1083.59303236 0.2906918 6 459.64938684 0.6979346 P 2 1 93.28669143 -0.2049762 2 45.31174475 -0.8194934 P 4 1 10.61760296 -0.5642671 2 5.24378338 -0.2561507 3 2.28539912 0.7127316 4 1.04150495 0.4915269 P 1 1 204.86060702 1.0000000 P 1 1 22.24303459 1.0000000 P 1 1 0.31780142 1.0000000 P 1 1 0.10871457 1.0000000 P 1 1 0.01135728 1.0000000 D 5 1 1392.73362167 0.0103901 2 420.79354028 0.0780741 3 161.49192583 0.2773651 4 69.06942033 0.4806427 5 31.28939346 0.3405668 D 2 1 13.73541931 -0.7183901 2 6.11700623 -0.3392434 D 1 1 2.22889327 1.0000000 D 1 1 0.81258684 1.0000000 D 1 1 0.07329342 1.0000000 F 4 1 119.29471935 0.0641881 2 38.73571603 0.2950640 3 14.26026596 0.5494242 4 5.08459658 0.3661458 F 1 1 2.54229829 1.0000000 F 1 1 1.41424914 1.0000000'); INSERT INTO "data_tab" VALUES(37,'H','HYDROGEN P 1 1 0.8000000 1.0000000'); INSERT INTO "data_tab" VALUES(37,'He','HELIUM P 1 1 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(37,'Li','LITHIUM P 1 1 0.1700000 1.0000000'); INSERT INTO "data_tab" VALUES(37,'Be','BERYLLIUM P 3 1 3.6316917145 -0.029033998305 2 0.71695694366 -0.16877854032 3 0.19541932860 -0.51403419628 P 1 1 0.06051546589 1.0000000'); INSERT INTO "data_tab" VALUES(37,'B','BORON D 1 1 0.5000000 1.0000000'); INSERT INTO "data_tab" VALUES(37,'C','CARBON D 1 1 0.8000000 1.0000000'); INSERT INTO "data_tab" VALUES(37,'N','NITROGEN D 1 1 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(37,'O','OXYGEN D 1 1 1.2000000 1.0000000'); INSERT INTO "data_tab" VALUES(37,'F','FLUORINE D 1 1 1.4000000 1.0000000'); INSERT INTO "data_tab" VALUES(37,'Ne','NEON D 1 1 1.8880000 1.0000000'); INSERT INTO "data_tab" VALUES(37,'Na','SODIUM P 1 1 0.0520000 1.0000000'); INSERT INTO "data_tab" VALUES(37,'Mg','MAGNESIUM P 1 1 0.18914796195 1.0000000'); INSERT INTO "data_tab" VALUES(37,'Al','ALUMINUM D 1 1 0.3000000 1.0000000'); INSERT INTO "data_tab" VALUES(37,'Si','SILICON D 1 1 0.3500000 1.0000000'); INSERT INTO "data_tab" VALUES(37,'P','PHOSPHORUS D 1 1 0.4500000 1.0000000'); INSERT INTO "data_tab" VALUES(37,'S','SULFUR D 1 1 0.5500000 1.0000000'); INSERT INTO "data_tab" VALUES(37,'Cl','CHLORINE D 1 1 0.6500000 1.0000000'); INSERT INTO "data_tab" VALUES(37,'Ar','ARGON D 1 1 0.9690000 1.0000000'); INSERT INTO "data_tab" VALUES(37,'K','POTASSIUM P 1 1 0.0417370 1.0000000'); INSERT INTO "data_tab" VALUES(37,'Ca','CALCIUM P 1 1 0.0749790 1.0000000'); INSERT INTO "data_tab" VALUES(37,'Sc','SCANDIUM P 1 1 0.0897480 1.0000000'); INSERT INTO "data_tab" VALUES(37,'Ti','TITANIUM P 1 1 0.1015610 1.0000000'); INSERT INTO "data_tab" VALUES(37,'V','VANADIUM P 1 1 0.1112480 1.0000000'); INSERT INTO "data_tab" VALUES(37,'Cr','CHROMIUM P 1 1 0.1206750 1.0000000'); INSERT INTO "data_tab" VALUES(37,'Mn','MANGANESE P 1 1 0.1276500 1.0000000'); INSERT INTO "data_tab" VALUES(37,'Fe','IRON P 1 1 0.1349150 1.0000000'); INSERT INTO "data_tab" VALUES(37,'Co','COBALT P 1 1 0.1413080 1.0000000'); INSERT INTO "data_tab" VALUES(37,'Ni','NICKEL P 1 1 0.1465880 1.0000000'); INSERT INTO "data_tab" VALUES(37,'Cu','COPPER P 1 1 0.1550650 1.0000000'); INSERT INTO "data_tab" VALUES(37,'Zn','ZINC P 1 1 0.1624550 1.0000000'); INSERT INTO "data_tab" VALUES(37,'Ga','GALLIUM D 1 1 0.2070000 1.0000000'); INSERT INTO "data_tab" VALUES(37,'Ge','GERMANIUM D 1 1 0.2460000 1.0000000'); INSERT INTO "data_tab" 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0.4820349000 0.00128142 21 0.1928139600 0.00553573 22 0.0771255800 -0.00311097 23 0.0308502300 0.00149299 24 0.0123400900 -0.00047407 P 24 1 24042755.10000000 0.00000231 2 4884304.780000000 0.00000534 3 1199626.700000000 0.00001504 4 333068.7710000000 0.00003899 5 101733.9420000000 0.00010459 6 33733.5361000000 0.00028676 7 12088.4344000000 0.00080692 8 4672.8186200000 0.00227894 9 1937.6287000000 0.00615268 10 852.9803900000 0.01438731 11 393.9536020000 0.02409812 12 188.8488080000 0.01123314 13 91.5402452000 -0.06037330 14 46.1892848000 -0.11306266 15 23.2400892000 0.05754849 16 11.5701321000 0.29829322 17 5.6910540700 0.01763549 18 2.6592708100 -0.60669827 19 1.1935120300 -0.10365791 20 0.4820349000 0.81492833 21 0.1928139600 0.36744622 22 0.0771255800 0.00222566 23 0.0308502300 0.00688072 24 0.0123400900 -0.00232456 P 24 1 24042755.10000000 -0.00000085 2 4884304.780000000 -0.00000197 3 1199626.700000000 -0.00000555 4 333068.7710000000 -0.00001439 5 101733.9420000000 -0.00003859 6 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11.5701321000 0.25229465 17 5.6910540700 0.08654296 18 2.6592708100 -0.89033645 19 1.1935120300 0.41553666 20 0.4820349000 1.21809264 21 0.1928139600 -1.46869953 22 0.0771255800 -0.16268266 23 0.0308502300 0.78241013 24 0.0123400900 0.03277123 P 24 1 24042755.10000000 -0.00000287 2 4884304.780000000 -0.00000661 3 1199626.700000000 -0.00001870 4 333068.7710000000 -0.00004802 5 101733.9420000000 -0.00013088 6 33733.5361000000 -0.00035015 7 12088.4344000000 -0.00102095 8 4672.8186200000 -0.00274928 9 1937.6287000000 -0.00789416 10 852.9803900000 -0.01702558 11 393.9536020000 -0.03234302 12 188.8488080000 -0.00723326 13 91.5402452000 0.06015963 14 46.1892848000 0.18245407 15 23.2400892000 -0.16718206 16 11.5701321000 -0.25279695 17 5.6910540700 -0.23331065 18 2.6592708100 1.67590385 19 1.1935120300 -1.95885465 20 0.4820349000 0.39799717 21 0.1928139600 1.51063269 22 0.0771255800 -2.34427263 23 0.0308502300 1.41036797 24 0.0123400900 0.01259746 P 24 1 24042755.10000000 0.00000400 2 4884304.780000000 0.00000924 3 1199626.700000000 0.00002601 4 333068.7710000000 0.00006742 5 101733.9420000000 0.00018094 6 33733.5361000000 0.00049599 7 12088.4344000000 0.00139668 8 4672.8186200000 0.00394516 9 1937.6287000000 0.01066011 10 852.9803900000 0.02497355 11 393.9536020000 0.04173805 12 188.8488080000 0.01898768 13 91.5402452000 -0.11057418 14 46.1892848000 -0.20219787 15 23.2400892000 0.13637706 16 11.5701321000 0.63087793 17 5.6910540700 -0.25492533 18 2.6592708100 -1.92979161 19 1.1935120300 3.71025331 20 0.4820349000 -4.00057559 21 0.1928139600 3.45926477 22 0.0771255800 -2.29272978 23 0.0308502300 0.79735832 24 0.0123400900 0.16394382 P 24 1 24042755.10000000 -0.00000444 2 4884304.780000000 -0.00001042 3 1199626.700000000 -0.00002853 4 333068.7710000000 -0.00007751 5 101733.9420000000 -0.00019213 6 33733.5361000000 -0.00059495 7 12088.4344000000 -0.00139956 8 4672.8186200000 -0.00500615 9 1937.6287000000 -0.00989679 10 852.9803900000 -0.03448880 11 393.9536020000 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0.0771255800 1.97633528 23 0.0308502300 -1.76512258 24 0.0123400900 1.03018294 D 18 1 13151.3798000000 0.00033610 2 5538.4255600000 0.00087744 3 2391.3622800000 0.00425555 4 1061.9407700000 0.01729310 5 482.8046480000 0.06386037 6 228.0968080000 0.18116517 7 111.3763360000 0.35117624 8 55.9376966000 0.38681517 9 28.3979883000 0.18474781 10 14.2555086000 0.02631429 11 7.1577160200 0.00085199 12 3.3665144700 -0.00001831 13 1.5721431400 0.00003460 14 0.6813783600 -0.00001744 15 0.2692189400 0.00001052 16 0.1076875800 -0.00000511 17 0.0430750300 0.00000256 18 0.0172300100 -0.00000085 D 18 1 13151.3798000000 -0.00018638 2 5538.4255600000 -0.00048753 3 2391.3622800000 -0.00237630 4 1061.9407700000 -0.00972280 5 482.8046480000 -0.03640524 6 228.0968080000 -0.10516572 7 111.3763360000 -0.20198941 8 55.9376966000 -0.17533966 9 28.3979883000 0.17421802 10 14.2555086000 0.52470703 11 7.1577160200 0.37724552 12 3.3665144700 0.07007536 13 1.5721431400 -0.00180030 14 0.6813783600 0.00109460 15 0.2692189400 -0.00054800 16 0.1076875800 0.00026722 17 0.0430750300 -0.00012891 18 0.0172300100 0.00004323 D 18 1 13151.3798000000 0.00008076 2 5538.4255600000 0.00020773 3 2391.3622800000 0.00103244 4 1061.9407700000 0.00417545 5 482.8046480000 0.01584345 6 228.0968080000 0.04553255 7 111.3763360000 0.08829218 8 55.9376966000 0.06848321 9 28.3979883000 -0.10935095 10 14.2555086000 -0.30675441 11 7.1577160200 -0.11189037 12 3.3665144700 0.45915263 13 1.5721431400 0.55133949 14 0.6813783600 0.15745025 15 0.2692189400 0.00105779 16 0.1076875800 0.00231292 17 0.0430750300 -0.00114612 18 0.0172300100 0.00039094 D 18 1 13151.3798000000 -0.00002273 2 5538.4255600000 -0.00005794 3 2391.3622800000 -0.00029088 4 1061.9407700000 -0.00116846 5 482.8046480000 -0.00445968 6 228.0968080000 -0.01276297 7 111.3763360000 -0.02488660 8 55.9376966000 -0.01876059 9 28.3979883000 0.03185978 10 14.2555086000 0.09056808 11 7.1577160200 0.02523492 12 3.3665144700 -0.16315904 13 1.5721431400 -0.20283151 14 0.6813783600 0.15842975 15 0.2692189400 0.51510719 16 0.1076875800 0.43833258 17 0.0430750300 0.10046090 18 0.0172300100 0.00616124 D 18 1 13151.3798000000 0.00003787 2 5538.4255600000 0.00009340 3 2391.3622800000 0.00048529 4 1061.9407700000 0.00190347 5 482.8046480000 0.00739604 6 228.0968080000 0.02083990 7 111.3763360000 0.04147863 8 55.9376966000 0.03008173 9 28.3979883000 -0.05013408 10 14.2555086000 -0.15819077 11 7.1577160200 -0.03339150 12 3.3665144700 0.28208264 13 1.5721431400 0.43373130 14 0.6813783600 -0.82747682 15 0.2692189400 -0.38594534 16 0.1076875800 0.64364612 17 0.0430750300 0.31348154 18 0.0172300100 -0.00859023 D 18 1 13151.3798000000 -0.00003614 2 5538.4255600000 -0.00010293 3 2391.3622800000 -0.00045850 4 1061.9407700000 -0.00200745 5 482.8046480000 -0.00716722 6 228.0968080000 -0.02175251 7 111.3763360000 -0.03982074 8 55.9376966000 -0.03605890 9 28.3979883000 0.06205267 10 14.2555086000 0.14239530 11 7.1577160200 0.08188101 12 3.3665144700 -0.43762017 13 1.5721431400 -0.30656091 14 0.6813783600 1.37106326 15 0.2692189400 -1.12374352 16 0.1076875800 -0.17197701 17 0.0430750300 0.90594377 18 0.0172300100 -0.09867217 D 18 1 13151.3798000000 0.00003401 2 5538.4255600000 0.00018637 3 2391.3622800000 0.00040321 4 1061.9407700000 0.00312235 5 482.8046480000 0.00751041 6 228.0968080000 0.03254470 7 111.3763360000 0.03870494 8 55.9376966000 0.07822369 9 28.3979883000 -0.15108135 10 14.2555086000 -0.05386651 11 7.1577160200 -0.37218056 12 3.3665144700 1.31172199 13 1.5721431400 -1.09454648 14 0.6813783600 -0.25469190 15 0.2692189400 1.41827833 16 0.1076875800 -1.79938393 17 0.0430750300 1.10428338 18 0.0172300100 0.08273881 D 18 1 13151.3798000000 -0.00001326 2 5538.4255600000 -0.00008074 3 2391.3622800000 -0.00015458 4 1061.9407700000 -0.00132807 5 482.8046480000 -0.00299666 6 228.0968080000 -0.01377928 7 111.3763360000 -0.01525135 8 55.9376966000 -0.03466090 9 28.3979883000 0.06763793 10 14.2555086000 0.01618091 11 7.1577160200 0.16870439 12 3.3665144700 -0.62187717 13 1.5721431400 0.66877646 14 0.6813783600 -0.21175936 15 0.2692189400 -0.35075362 16 0.1076875800 0.96918517 17 0.0430750300 -1.63206299 18 0.0172300100 1.55978719 D 18 1 13151.3798000000 0.00005518 2 5538.4255600000 0.00023428 3 2391.3622800000 0.00067381 4 1061.9407700000 0.00411084 5 482.8046480000 0.01156639 6 228.0968080000 0.04353150 7 111.3763360000 0.06340736 8 55.9376966000 0.09959965 9 28.3979883000 -0.17915501 10 14.2555086000 -0.21733157 11 7.1577160200 -0.32964912 12 3.3665144700 2.16993574 13 1.5721431400 -3.23682327 14 0.6813783600 2.85872855 15 0.2692189400 -2.25240163 16 0.1076875800 1.79410765 17 0.0430750300 -1.18392541 18 0.0172300100 0.44564976 D 18 1 13151.3798000000 -0.00028351 2 5538.4255600000 0.00039423 3 2391.3622800000 -0.00393916 4 1061.9407700000 0.00093716 5 482.8046480000 -0.04527076 6 228.0968080000 -0.00856126 7 111.3763360000 -0.31032346 8 55.9376966000 0.24299998 9 28.3979883000 -0.62990893 10 14.2555086000 2.94758183 11 7.1577160200 -4.83235196 12 3.3665144700 4.33776026 13 1.5721431400 -2.74485545 14 0.6813783600 1.40308683 15 0.2692189400 -0.73826426 16 0.1076875800 0.43475246 17 0.0430750300 -0.23144498 18 0.0172300100 0.07793823 F 14 1 852.9803900000 0.00098847 2 393.9536020000 0.00389728 3 188.8488080000 0.02109727 4 91.5402452000 0.07363268 5 46.1892848000 0.19181264 6 23.2400892000 0.34284847 7 11.5701321000 0.37897915 8 5.6910540700 0.22654793 9 2.6592708100 0.05327476 10 1.1935120300 0.00087745 11 0.4820349000 0.00057382 12 0.1928139600 -0.00028937 13 0.0771255800 0.00013447 14 0.0308502300 -0.00004717 F 14 1 852.9803900000 -0.00014204 2 393.9536020000 -0.00049180 3 188.8488080000 -0.00298212 4 91.5402452000 -0.00970916 5 46.1892848000 -0.02690725 6 23.2400892000 -0.04253458 7 11.5701321000 -0.04493638 8 5.6910540700 0.02422342 9 2.6592708100 0.08827193 10 1.1935120300 0.23789587 11 0.4820349000 0.42427771 12 0.1928139600 0.38705171 13 0.0771255800 0.19546193 14 0.0308502300 0.01061583 F 14 1 852.9803900000 0.00005032 2 393.9536020000 -0.00040092 3 188.8488080000 0.00053634 4 91.5402452000 -0.00436976 5 46.1892848000 0.00274915 6 23.2400892000 -0.02297680 7 11.5701321000 0.03017381 8 5.6910540700 -0.05840562 9 2.6592708100 0.29955820 10 1.1935120300 -0.42964908 11 0.4820349000 -0.68355608 12 0.1928139600 0.69014030 13 0.0771255800 0.36476962 14 0.0308502300 0.03953594 F 14 1 852.9803900000 -0.00033818 2 393.9536020000 -0.00108555 3 188.8488080000 -0.00702113 4 91.5402452000 -0.02201029 5 46.1892848000 -0.06333174 6 23.2400892000 -0.09727708 7 11.5701321000 -0.11041513 8 5.6910540700 0.09180216 9 2.6592708100 0.21935603 10 1.1935120300 0.81534344 11 0.4820349000 -0.69054449 12 0.1928139600 -0.37595098 13 0.0771255800 0.50679903 14 0.0308502300 0.02804957 F 14 1 852.9803900000 0.00023473 2 393.9536020000 0.00230701 3 188.8488080000 0.00629942 4 91.5402452000 0.03633203 5 46.1892848000 0.06226612 6 23.2400892000 0.17831667 7 11.5701321000 0.05553565 8 5.6910540700 0.02352469 9 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2.0440000 1.1897315 2 1.2670000 -1.6650462 3 0.4157000 -1.0563335 4 0.1671000 1.1840652 S 1 1 0.0482000 1.0000000 P 3 1 2.5650000 -0.2917238 2 1.2290000 0.7570649 3 0.4244000 0.5240081 P 2 1 0.4360000 -0.1513014 2 0.0840000 1.0613123 P 1 1 0.0280000 1.0000000 D 2 1 0.8948000 0.4731072 2 0.2989000 0.6399200 D 1 1 0.0935000 1.0000000'); INSERT INTO "data_tab" VALUES(107,'W','TUNGSTEN S 3 1 2.1370000 -1.3916151 2 1.3470000 1.7510261 3 0.4366000 0.4694647 S 4 1 2.1370000 1.2985088 2 1.3470000 -1.8102429 3 0.4366000 -1.0844531 4 0.1883000 1.2580618 S 1 1 0.0518000 1.0000000 P 3 1 3.0050000 -0.2405563 2 1.2280000 0.7364092 3 0.4415000 0.4881487 P 2 1 0.4010000 -0.1497499 2 0.0900000 1.0707463 P 1 1 0.0280000 1.0000000 D 2 1 0.9519000 0.4985265 2 0.3270000 0.6111110 D 1 1 0.1054000 1.0000000'); INSERT INTO "data_tab" VALUES(107,'Re','RHENIUM S 3 1 2.1850000 -1.6223730 2 1.4510000 1.9938647 3 0.4585000 0.4531166 S 4 1 2.1850000 1.5459752 2 1.4510000 -2.0758927 3 0.4585000 -1.1922396 4 0.2314000 1.2272864 S 1 1 0.0566000 1.0000000 P 3 1 3.3580000 -0.2318667 2 1.2710000 0.7458683 3 0.4644000 0.4632686 P 2 1 0.4960000 -0.1311370 2 0.0890000 1.0503671 P 1 1 0.0280000 1.0000000 D 2 1 1.1160000 0.4689888 2 0.4267000 0.6209591 D 1 1 0.1378000 1.0000000'); INSERT INTO "data_tab" VALUES(107,'Os','OSMIUM S 3 1 2.2220000 -1.6538036 2 1.4960000 2.0670297 3 0.4774000 0.4232017 S 4 1 2.2220000 1.6046968 2 1.4960000 -2.2120386 3 0.4774000 -1.1301209 4 0.2437000 1.2654553 S 1 1 0.0583000 1.0000000 P 3 1 2.5180000 -0.4177345 2 1.4600000 0.9434947 3 0.4923000 0.4672976 P 2 1 0.5100000 -0.1490279 2 0.0980000 1.0603616 P 1 1 0.0290000 1.0000000 D 2 1 1.1830000 0.4838470 2 0.4492000 0.6079573 D 1 1 0.1463000 1.0000000'); INSERT INTO "data_tab" VALUES(107,'Ir','IRIDIUM S 3 1 2.3500000 -1.6784642 2 1.5820000 2.0952553 3 0.5018000 0.4162934 S 4 1 2.3500000 1.6464467 2 1.5820000 -2.2748150 3 0.5018000 -1.0494357 4 0.2500000 1.2167791 S 1 1 0.0598000 1.0000000 P 3 1 2.7920000 -0.3889212 2 1.5410000 0.9077516 3 0.5285000 0.4691443 P 2 1 0.5100000 -0.1170669 2 0.0980000 1.0489002 P 1 1 0.0290000 1.0000000 D 2 1 1.2400000 0.5087022 2 0.4647000 0.5862102 D 1 1 0.1529000 1.0000000'); INSERT INTO "data_tab" VALUES(107,'Pt','PLATINUM S 3 1 2.5470000 -1.4739175 2 1.6140000 1.9115719 3 0.5167000 0.3922319 S 4 1 2.5470000 1.4388166 2 1.6140000 -2.0911821 3 0.5167000 -1.0921315 4 0.2651000 1.3426596 S 1 1 0.0580000 1.0000000 P 3 1 2.9110000 -0.5247438 2 1.8360000 0.9671884 3 0.5982000 0.5438632 P 2 1 0.6048000 -0.1061438 2 0.0996000 1.0383102 P 1 1 0.0290000 1.0000000 D 2 1 1.2430000 0.5598150 2 0.4271000 0.5511090 D 1 1 0.1370000 1.0000000'); INSERT INTO "data_tab" VALUES(107,'Au','GOLD S 3 1 2.8090000 -1.2021556 2 1.5950000 1.6741578 3 0.5327000 0.3526593 S 4 1 2.8090000 1.1608481 2 1.5950000 -1.8642846 3 0.5327000 -1.0356230 4 0.2826000 1.3064399 S 1 1 0.0598000 1.0000000 P 3 1 3.6840000 -0.2802681 2 1.6660000 0.7818398 3 0.5989000 0.4804776 P 2 1 0.6838000 -0.0952078 2 0.0977000 1.0299147 P 1 1 0.0279000 1.0000000 D 2 1 1.2870000 0.5844273 2 0.4335000 0.5298161 D 1 1 0.1396000 1.0000000'); INSERT INTO "data_tab" VALUES(108,'K','POTASSIUM D 1 1 0.1000000 1.0000000'); INSERT INTO "data_tab" VALUES(108,'Ca','CALCIUM D 1 1 0.1000000 1.0000000'); INSERT INTO "data_tab" VALUES(108,'Ga','GALLIUM D 1 1 0.2070000 1.0000000'); INSERT INTO "data_tab" VALUES(108,'Ge','GERMANIUM D 1 1 0.2460000 1.0000000'); INSERT INTO "data_tab" VALUES(108,'As','ARSENIC D 1 1 0.2930000 1.0000000'); INSERT INTO "data_tab" VALUES(108,'Se','SELENIUM D 1 1 0.3380000 1.0000000'); INSERT INTO "data_tab" VALUES(108,'Br','BROMINE D 1 1 0.3890000 1.0000000'); INSERT INTO "data_tab" VALUES(108,'Kr','KRYPTON D 1 1 0.4430000 1.0000000'); INSERT INTO "data_tab" VALUES(108,'Rb','RUBIDIUM D 1 1 0.1100000 1.0000000'); INSERT INTO "data_tab" VALUES(108,'Sr','STRONTIUM D 1 1 0.1100000 1.0000000'); INSERT INTO "data_tab" VALUES(108,'In','INDIUM D 1 1 0.1600000 1.0000000'); INSERT INTO "data_tab" VALUES(108,'Sn','TIN D 1 1 0.1830000 1.0000000'); INSERT INTO "data_tab" VALUES(108,'Sb','ANTIMONY D 1 1 0.2110000 1.0000000'); INSERT INTO "data_tab" VALUES(108,'Te','TELLURIUM D 1 1 0.2370000 1.0000000'); INSERT INTO "data_tab" VALUES(108,'I','IODINE D 1 1 0.2660000 1.0000000'); INSERT INTO "data_tab" VALUES(108,'Xe','XENON D 1 1 0.2970000 1.0000000'); INSERT INTO "data_tab" VALUES(108,'Tl','THALLIUM D 1 1 0.1460000 1.0000000'); INSERT INTO "data_tab" VALUES(108,'Pb','LEAD D 1 1 0.1640000 1.0000000'); INSERT INTO "data_tab" VALUES(108,'Bi','BISMUTH D 1 1 0.1850000 1.0000000'); INSERT INTO "data_tab" VALUES(108,'Po','POLONIUM D 1 1 0.2040000 1.0000000'); INSERT INTO "data_tab" VALUES(108,'At','ASTATINE D 1 1 0.2250000 1.0000000'); INSERT INTO "data_tab" VALUES(108,'Rn','RADON D 1 1 0.2470000 1.0000000'); INSERT INTO "data_tab" VALUES(109,'H','HYDROGEN S 3 1 33.6444000 0.61200000E-02 2 5.0579600 0.45750000E-01 3 1.1468000 0.20572000 S 1 1 0.32114400 1.0000000 S 1 1 0.10130900 1.0000000 P 1 1 0.6500000 1.0000000'); INSERT INTO "data_tab" VALUES(109,'B','BORON S 5 1 2796.6035000 0.12822290E-02 2 420.8679900 0.97664082E-02 3 96.9158660 0.47452550E-01 4 28.1030580 0.16028625 5 9.3784384 0.36191858 S 1 1 3.4280972 1.0000000 S 1 1 1.3353938 1.0000000 S 1 1 0.32384228 1.0000000 S 1 1 0.10202139 1.0000000 P 2 1 11.2907200 0.14449977E-01 2 2.4257124 0.88292042E-01 P 1 1 0.68564974 1.0000000 P 1 1 0.21569117 1.0000000 P 1 1 0.07010236 1.0000000 D 1 1 0.7000000 1.0000000'); INSERT INTO "data_tab" VALUES(109,'C','CARBON S 5 1 4240.3098000 0.12152226E-02 2 637.7782700 0.92731586E-02 3 146.7453400 0.45279235E-01 4 42.5314280 0.15492334 5 14.1848040 0.35808349 S 1 1 5.1756943 1.0000000 S 1 1 2.0072531 1.0000000 S 1 1 0.49677422 1.0000000 S 1 1 0.15348718 1.0000000 P 2 1 18.0991440 0.14760512E-01 2 3.9769145 0.91649350E-01 P 1 1 1.1450768 1.0000000 P 1 1 0.36188831 1.0000000 P 1 1 0.11460548 1.0000000 D 1 1 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(109,'N','NITROGEN S 5 1 6024.2736000 0.11603780E-02 2 906.5957700 0.88500699E-02 3 208.4478000 0.43504152E-01 4 60.1036830 0.15154374 5 19.9733480 0.35487068 S 1 1 7.3341985 1.0000000 S 1 1 2.8938194 1.0000000 S 1 1 0.70806350 1.0000000 S 1 1 0.21581223 1.0000000 P 2 1 26.3626090 0.14901061E-01 2 5.8777343 0.93338245E-01 P 1 1 1.7167892 1.0000000 P 1 1 0.54594357 1.0000000 P 1 1 0.16994634 1.0000000 D 1 1 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(109,'O','OXYGEN S 5 1 8046.1590000 0.11346040E-02 2 1211.9849000 0.86365429E-02 3 279.5249100 0.42297866E-01 4 80.9329960 0.14760311 5 26.9342700 0.35147639 S 1 1 9.8393320 1.0000000 S 1 1 3.8340374 1.0000000 S 1 1 0.95681143 1.0000000 S 1 1 0.28899604 1.0000000 P 2 1 34.9066140 0.15617689E-01 2 7.8465639 0.98281028E-01 P 1 1 2.3049855 1.0000000 P 1 1 0.72205670 1.0000000 P 1 1 0.21525878 1.0000000 D 1 1 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(109,'F','FLUORINE S 5 1 10255.8630000 0.11292620E-02 2 1545.5575000 0.85868021E-02 3 357.0697700 0.41957136E-01 4 103.6314300 0.14649137 5 34.5026160 0.35191132 S 1 1 12.5460950 1.0000000 S 1 1 4.8318328 1.0000000 S 1 1 1.2331235 1.0000000 S 1 1 0.36996157 1.0000000 P 2 1 44.6080070 0.16248533E-01 2 10.0966730 0.10219615 P 1 1 2.9848813 1.0000000 P 1 1 0.93222839 1.0000000 P 1 1 0.27221117 1.0000000 D 1 1 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(109,'Al','ALUMINUM S 5 1 23491.0820000 0.10159500E-02 2 3547.6323000 0.76897020E-02 3 823.4719900 0.37631829E-01 4 237.6793800 0.13604661 5 78.6020590 0.33655292 S 1 1 29.0499060 1.0000000 S 1 1 11.6238120 1.0000000 S 1 1 3.4653431 1.0000000 S 1 1 1.2331429 1.0000000 S 1 1 0.20181005 1.0000000 S 1 1 0.07804797 1.0000000 P 2 1 141.5103600 0.10997308E-01 2 33.2176290 0.73983271E-01 P 1 1 10.3930140 1.0000000 P 1 1 3.5925839 1.0000000 P 1 1 1.2421020 1.0000000 P 1 1 0.30402357 1.0000000 P 1 1 0.07628914 1.0000000 D 1 1 0.3000000 1.0000000 D 1 1 1.2000000 1.0000000'); INSERT INTO "data_tab" VALUES(109,'Si','SILICON S 5 1 26737.3890000 0.10391170E-02 2 4076.3786000 0.77377140E-02 3 953.2931500 0.37756357E-01 4 274.5844100 0.13727615 5 90.6819870 0.33903718 S 1 1 33.5290570 1.0000000 S 1 1 13.4576290 1.0000000 S 1 1 4.0506916 1.0000000 S 1 1 1.4841839 1.0000000 S 1 1 0.27044323 1.0000000 S 1 1 0.09932161 1.0000000 P 2 1 163.7327000 0.11657257E-01 2 38.3520810 0.78802079E-01 P 1 1 12.0211140 1.0000000 P 1 1 4.1845733 1.0000000 P 1 1 1.4827170 1.0000000 P 1 1 0.33498569 1.0000000 P 1 1 0.09699384 1.0000000 D 1 1 0.3500000 1.0000000 D 1 1 1.4000000 1.0000000'); INSERT INTO "data_tab" VALUES(109,'P','PHOSPHORUS S 5 1 30632.3780000 0.10410130E-02 2 4684.2521000 0.77456910E-02 3 1093.5903000 0.37867995E-01 4 315.2803300 0.13740569 5 104.1176300 0.34053492 S 1 1 38.4157240 1.0000000 S 1 1 15.4465310 1.0000000 S 1 1 4.6559704 1.0000000 S 1 1 1.7588774 1.0000000 S 1 1 0.34094694 1.0000000 S 1 1 0.12377993 1.0000000 P 2 1 187.7387100 0.12251938E-01 2 43.6335500 0.84249103E-01 P 1 1 13.6031690 1.0000000 P 1 1 4.7660461 1.0000000 P 1 1 1.7426185 1.0000000 P 1 1 0.41920305 1.0000000 P 1 1 0.12451394 1.0000000 D 1 1 0.3500000 1.0000000 D 1 1 1.4000000 1.0000000'); INSERT INTO "data_tab" VALUES(109,'S','SULFUR S 5 1 35713.9840000 0.10159130E-02 2 5396.6277000 0.76896040E-02 3 1249.7093000 0.37859089E-01 4 359.9342600 0.13697350 5 119.1712600 0.33927126 S 1 1 43.9835580 1.0000000 S 1 1 17.6266740 1.0000000 S 1 1 5.4200903 1.0000000 S 1 1 2.0738730 1.0000000 S 1 1 0.42642466 1.0000000 S 1 1 0.15187254 1.0000000 P 2 1 212.8658600 0.12776106E-01 2 49.6001950 0.87688413E-01 P 1 1 15.5155380 1.0000000 P 1 1 5.4755711 1.0000000 P 1 1 2.0441527 1.0000000 P 1 1 0.52179721 1.0000000 P 1 1 0.15064449 1.0000000 D 1 1 0.4000000 1.0000000 D 1 1 1.6000000 1.0000000'); INSERT INTO "data_tab" VALUES(109,'Cl','CHLORINE S 5 1 40847.5640000 0.99931999E-03 2 6178.5973000 0.75805420E-02 3 1424.6428000 0.37585711E-01 4 409.2096900 0.13635939 5 135.4764600 0.33796115 S 1 1 50.1319430 1.0000000 S 1 1 20.2099350 1.0000000 S 1 1 6.2827101 1.0000000 S 1 1 2.4595546 1.0000000 S 1 1 0.52706222 1.0000000 S 1 1 0.18840804 1.0000000 P 2 1 240.7668700 0.13103854E-01 2 56.5624060 0.88954474E-01 P 1 1 17.8457780 1.0000000 P 1 1 6.3498807 1.0000000 P 1 1 2.4030754 1.0000000 P 1 1 0.64102163 1.0000000 P 1 1 0.18375019 1.0000000 D 1 1 0.4000000 1.0000000 D 1 1 1.6000000 1.0000000'); INSERT INTO "data_tab" VALUES(110,'K','POTASSIUM S 3 1 3.0720000 -0.3083067 2 0.6752000 0.7820711 3 0.2545000 0.4142883 S 4 1 3.0720000 0.1894087 2 0.6752000 -0.5472332 3 0.2545000 -0.7576458 4 0.0529000 0.9952157 S 1 1 0.0209000 1.0000000 P 3 1 8.2330000 -0.0419919 2 0.9526000 0.5776819 3 0.3013000 0.5234611 P 1 1 0.0376000 1.0000000 P 1 1 0.0140000 1.0000000'); INSERT INTO "data_tab" VALUES(110,'Ca','CALCIUM S 3 1 3.4840000 -0.3337370 2 0.8551000 0.7589831 3 0.3192000 0.4606109 S 4 1 3.4840000 0.2606030 2 0.8551000 -0.6839150 3 0.3192000 -1.1987807 4 0.1447000 1.0251221 S 1 1 0.0350000 1.0000000 P 3 1 9.4200000 -0.0436943 2 1.1500000 0.6034747 3 0.3688000 0.4961107 P 1 1 0.0705000 1.0000000 P 1 1 0.0263000 1.0000000'); INSERT INTO "data_tab" VALUES(110,'Sc','SCANDIUM S 3 1 3.7170000 -0.3926292 2 1.0970000 0.7147339 3 0.4164000 0.5509400 S 4 1 3.7170000 0.2197446 2 1.0970000 -0.4546067 3 0.4164000 -0.6938181 4 0.0761000 1.1260172 S 1 1 0.0284000 1.0000000 P 3 1 10.4000000 -0.0492615 2 1.3110000 0.6071965 3 0.4266000 0.4917582 P 1 1 0.0470000 1.0000000 P 1 1 0.0140000 1.0000000 D 4 1 15.1300000 0.0379291 2 4.2050000 0.1738360 3 1.3030000 0.4268057 4 0.3680000 0.6238539 D 1 1 0.0812000 1.0000000'); INSERT INTO "data_tab" VALUES(110,'Ti','TITANIUM S 3 1 4.3720000 -0.3637098 2 1.0980000 0.8184533 3 0.4178000 0.4184526 S 4 1 4.3720000 0.2049027 2 1.0980000 -0.5575413 3 0.4178000 -0.5893652 4 0.0872000 1.1451661 S 1 1 0.0314000 1.0000000 P 3 1 12.5200000 -0.0456908 2 1.4910000 0.6203313 3 0.4859000 0.4765329 P 1 1 0.0530000 1.0000000 P 1 1 0.0160000 1.0000000 D 4 1 20.2100000 0.0341682 2 5.4950000 0.1710006 3 1.6990000 0.4405849 4 0.4840000 0.6114246 D 1 1 0.1157000 1.0000000'); INSERT INTO "data_tab" VALUES(110,'V','VANADIUM S 3 1 4.5900000 -0.4277302 2 1.4930000 0.7069691 3 0.5570000 0.5895813 S 4 1 4.5900000 0.2501081 2 1.4930000 -0.4697777 3 0.5570000 -0.7129415 4 0.0975000 1.1006569 S 1 1 0.0342000 1.0000000 P 3 1 13.7600000 -0.0482312 2 1.7120000 0.6141161 3 0.5587000 0.4838342 P 1 1 0.0590000 1.0000000 P 1 1 0.0180000 1.0000000 D 4 1 25.7000000 0.0331033 2 6.5300000 0.1795753 3 2.0780000 0.4373062 4 0.6243000 0.5984860 D 1 1 0.1542000 1.0000000'); INSERT INTO "data_tab" VALUES(110,'Cr','CHROMIUM S 3 1 5.3610000 -0.3805689 2 1.4490000 0.7795625 3 0.5496000 0.4730777 S 4 1 5.3610000 0.2203111 2 1.4490000 -0.5423391 3 0.5496000 -0.6047716 4 0.1052000 1.1136657 S 1 1 0.0364000 1.0000000 P 3 1 16.4200000 -0.0461397 2 1.9140000 0.6109965 3 0.6241000 0.4859635 P 1 1 0.0630000 1.0000000 P 1 1 0.0190000 1.0000000 D 4 1 28.9500000 0.0337787 2 7.7080000 0.1780345 3 2.4950000 0.4370008 4 0.7655000 0.5941795 D 1 1 0.1889000 1.0000000'); INSERT INTO "data_tab" VALUES(110,'Mn','MANGANESE S 3 1 5.9140000 -0.3764508 2 1.6050000 0.7724789 3 0.6260000 0.4769346 S 4 1 5.9140000 0.2119966 2 1.6050000 -0.5199472 3 0.6260000 -0.5857681 4 0.1115000 1.1003964 S 1 1 0.0380000 1.0000000 P 3 1 18.2000000 -0.0447901 2 2.1410000 0.6260311 3 0.7009000 0.4696329 P 1 1 0.0690000 1.0000000 P 1 1 0.0210000 1.0000000 D 4 1 32.2700000 0.0341580 2 8.8750000 0.1761105 3 2.8900000 0.4394298 4 0.8761000 0.5943271 D 1 1 0.2120000 1.0000000'); INSERT INTO "data_tab" VALUES(110,'Fe','IRON S 3 1 6.4220000 -0.3927882 2 1.8260000 0.7712643 3 0.7135000 0.4920228 S 4 1 6.4220000 0.1786877 2 1.8260000 -0.4194032 3 0.7135000 -0.4568185 4 0.1021000 1.1035048 S 1 1 0.0363000 1.0000000 P 3 1 19.4800000 -0.0470282 2 2.3890000 0.6248841 3 0.7795000 0.4722542 P 1 1 0.0740000 1.0000000 P 1 1 0.0220000 1.0000000 D 4 1 37.0800000 0.0329000 2 10.1000000 0.1787418 3 3.2200000 0.4487657 4 0.9628000 0.5876361 D 1 1 0.2262000 1.0000000'); INSERT INTO "data_tab" VALUES(110,'Co','COBALT S 3 1 7.1760000 -0.3856734 2 2.0090000 0.7453116 3 0.8055000 0.5091819 S 4 1 7.1760000 0.1736161 2 2.0090000 -0.3970442 3 0.8055000 -0.4630622 4 0.1070000 1.0899654 S 1 1 0.0375000 1.0000000 P 3 1 21.3900000 -0.0480413 2 2.6500000 0.6222337 3 0.8619000 0.4758042 P 1 1 0.0800000 1.0000000 P 1 1 0.0230000 1.0000000 D 4 1 39.2500000 0.0361541 2 10.7800000 0.1896744 3 3.4960000 0.4524981 4 1.0660000 0.5710427 D 1 1 0.2606000 1.0000000'); INSERT INTO "data_tab" VALUES(110,'Ni','NICKEL S 3 1 7.6200000 -0.4082550 2 2.2940000 0.7455308 3 0.8760000 0.5325721 S 4 1 7.6200000 0.1872591 2 2.2940000 -0.3966964 3 0.8760000 -0.4954003 4 0.1153000 1.0844343 S 1 1 0.0396000 1.0000000 P 3 1 23.6600000 -0.0481558 2 2.8930000 0.6258473 3 0.9435000 0.4715158 P 1 1 0.0840000 1.0000000 P 1 1 0.0240000 1.0000000 D 4 1 42.7200000 0.0372699 2 11.7600000 0.1956103 3 3.8170000 0.4561273 4 1.1690000 0.5621587 D 1 1 0.2836000 1.0000000'); INSERT INTO "data_tab" VALUES(110,'Cu','COPPER S 3 1 8.1760000 -0.4210260 2 2.5680000 0.7385924 3 0.9587000 0.5525692 S 4 1 8.1760000 0.1787665 2 2.5680000 -0.3592273 3 0.9587000 -0.4704825 4 0.1153000 1.0807407 S 1 1 0.0396000 1.0000000 P 3 1 25.6300000 -0.0489173 2 3.1660000 0.6272854 3 1.0230000 0.4716188 P 1 1 0.0860000 1.0000000 P 1 1 0.0240000 1.0000000 D 4 1 41.3400000 0.0465424 2 11.4200000 0.2227824 3 3.8390000 0.4539059 4 1.2300000 0.5314769 D 1 1 0.3102000 1.0000000'); INSERT INTO "data_tab" VALUES(110,'Rb','RUBIDIUM S 3 1 1.4570000 -1.0617406 2 0.9400000 1.1722125 3 0.2706000 0.7437008 S 4 1 1.4570000 0.5052174 2 0.9400000 -0.5718404 3 0.2706000 -0.6835308 4 0.0366000 1.1136477 S 1 1 0.0155000 1.0000000 P 3 1 3.3000000 -0.0729417 2 0.5985000 0.6321782 3 0.2067000 0.4707426 P 2 1 0.1947000 -0.1250552 2 0.0318000 1.0438206 P 1 1 0.0124000 1.0000000'); INSERT INTO "data_tab" VALUES(110,'Sr','STRONTIUM S 3 1 1.6480000 -0.9519879 2 1.0030000 1.0869857 3 0.3106000 0.7203160 S 4 1 1.6480000 0.7914337 2 1.0030000 -0.9434046 3 0.3106000 -1.3043063 4 0.1099000 0.9046869 S 1 1 0.0292000 1.0000000 P 3 1 3.5520000 -0.0886461 2 0.6975000 0.6661857 3 0.2480000 0.4390705 P 2 1 0.2735000 -0.1787470 2 0.0570000 1.0766134 P 1 1 0.0222000 1.0000000'); INSERT INTO "data_tab" VALUES(110,'Y','YTTRIUM S 3 1 1.7510000 -1.1617905 2 1.1430000 1.2958877 3 0.3581000 0.7115125 S 4 1 1.7510000 0.9683123 2 1.1430000 -1.1346367 3 0.3581000 -1.1914054 4 0.1058000 0.9281063 S 1 1 0.0318000 1.0000000 P 3 1 3.8840000 -0.0820601 2 0.7660000 0.6756413 3 0.2890000 0.4195482 P 2 1 0.2896000 -0.1501080 2 0.0629000 1.0686926 P 1 1 0.0223000 1.0000000 D 3 1 1.5230000 0.1074843 2 0.5634000 0.4563954 3 0.1834000 0.6039855 D 1 1 0.0569000 1.0000000'); INSERT INTO "data_tab" VALUES(110,'Zr','ZIRCONIUM S 3 1 1.9760000 -0.9206745 2 1.1540000 1.0929033 3 0.3910000 0.6795621 S 4 1 1.9760000 0.7506060 2 1.1540000 -0.9810826 3 0.3910000 -1.0225151 4 0.1001000 1.0860038 S 1 1 0.0334000 1.0000000 P 3 1 4.1920000 -0.0942554 2 0.8764000 0.6783675 3 0.3263000 0.4246618 P 2 1 0.2972000 -0.1527401 2 0.0724000 1.0777185 P 1 1 0.0243000 1.0000000 D 3 1 2.2690000 0.0599741 2 0.7855000 0.4734158 3 0.2615000 0.6117178 D 1 1 0.0802000 1.0000000'); INSERT INTO "data_tab" VALUES(110,'Nb','NIOBIUM S 3 1 2.1820000 -0.8846144 2 1.2090000 1.1033775 3 0.4165000 0.6298776 S 4 1 2.1820000 0.7790287 2 1.2090000 -1.0752788 3 0.4165000 -1.1506014 4 0.1454000 0.9969155 S 1 1 0.0392000 1.0000000 P 3 1 4.5190000 -0.0817303 2 0.9406000 0.6995115 3 0.3492000 0.3980996 P 2 1 0.4106000 -0.1212176 2 0.0752000 1.0480477 P 1 1 0.0247000 1.0000000 D 3 1 3.4660000 0.0315983 2 0.9938000 0.4834306 3 0.3350000 0.6164893 D 1 1 0.1024000 1.0000000'); INSERT INTO "data_tab" VALUES(110,'Mo','MOLYBDENUM S 3 1 2.3610000 -0.9121760 2 1.3090000 1.1477453 3 0.4500000 0.6097109 S 4 1 2.3610000 0.8139259 2 1.3090000 -1.1360084 3 0.4500000 -1.1611592 4 0.1681000 1.0064786 S 1 1 0.0423000 1.0000000 P 3 1 4.8950000 -0.0908258 2 1.0440000 0.7042899 3 0.3877000 0.3973179 P 2 1 0.4995000 -0.1081945 2 0.0780000 1.0368093 P 1 1 0.0247000 1.0000000 D 3 1 2.9930000 0.0527063 2 1.0630000 0.5003907 3 0.3721000 0.5794024 D 1 1 0.1178000 1.0000000'); INSERT INTO "data_tab" VALUES(110,'Tc','TECHNETIUM S 3 1 2.3420000 -1.4911782 2 1.6340000 1.6749043 3 0.5094000 0.6573006 S 4 1 2.3420000 1.3523997 2 1.6340000 -1.6216301 3 0.5094000 -1.1463770 4 0.1706000 0.9859190 S 1 1 0.0435000 1.0000000 P 3 1 5.2780000 -0.0995419 2 1.1560000 0.7081544 3 0.4302000 0.3973571 P 2 1 0.4767000 -0.0973127 2 0.0895000 1.0404862 P 1 1 0.0246000 1.0000000 D 3 1 4.6320000 0.0268724 2 1.2790000 0.5073089 3 0.4425000 0.5911381 D 1 1 0.1364000 1.0000000'); INSERT INTO "data_tab" VALUES(110,'Ru','RUTHENIUM S 3 1 2.5650000 -1.0431056 2 1.5080000 1.3314786 3 0.5129000 0.5613065 S 4 1 2.5650000 0.8770128 2 1.5080000 -1.2634660 3 0.5129000 -0.8384987 4 0.1362000 1.0637773 S 1 1 0.0417000 1.0000000 P 3 1 4.8590000 -0.0945755 2 1.2190000 0.7434798 3 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1 0.4585000 1.0000000 S 1 1 0.2314000 1.0000000 S 1 1 0.0566000 1.0000000 P 1 1 3.3580000 1.0000000 P 1 1 1.2710000 1.0000000 P 1 1 0.4644000 1.0000000 P 1 1 0.0890000 1.0000000 P 1 1 0.0280000 1.0000000 D 1 1 1.1160000 1.0000000 D 1 1 0.4267000 1.0000000 D 1 1 0.1378000 1.0000000 F 1 1 0.8690000 1.0000000'); INSERT INTO "data_tab" VALUES(115,'Os','OSMIUM S 1 1 2.2220000 1.0000000 S 1 1 1.4960000 1.0000000 S 1 1 0.4774000 1.0000000 S 1 1 0.2437000 1.0000000 S 1 1 0.0583000 1.0000000 P 1 1 2.5180000 1.0000000 P 1 1 1.4600000 1.0000000 P 1 1 0.4923000 1.0000000 P 1 1 0.0980000 1.0000000 P 1 1 0.0290000 1.0000000 D 1 1 1.1830000 1.0000000 D 1 1 0.4492000 1.0000000 D 1 1 0.1463000 1.0000000 F 1 1 0.8860000 1.0000000'); INSERT INTO "data_tab" VALUES(115,'Ir','IRIDIUM S 1 1 2.3500000 1.0000000 S 1 1 1.5820000 1.0000000 S 1 1 0.5018000 1.0000000 S 1 1 0.2500000 1.0000000 S 1 1 0.0598000 1.0000000 P 1 1 2.7920000 1.0000000 P 1 1 1.5410000 1.0000000 P 1 1 0.5100000 1.0000000 P 1 1 0.0980000 1.0000000 P 1 1 0.0290000 1.0000000 D 1 1 1.2400000 1.0000000 D 1 1 0.4647000 1.0000000 D 1 1 0.1529000 1.0000000 F 1 1 0.9380000 1.0000000'); INSERT INTO "data_tab" VALUES(115,'Pt','PLATINUM S 1 1 2.5470000 1.0000000 S 1 1 1.6140000 1.0000000 S 1 1 0.5167000 1.0000000 S 1 1 0.2651000 1.0000000 S 1 1 0.0580000 1.0000000 P 1 1 2.9110000 1.0000000 P 1 1 1.8360000 1.0000000 P 1 1 0.5982000 1.0000000 P 1 1 0.0996000 1.0000000 P 1 1 0.0290000 1.0000000 D 1 1 1.2430000 1.0000000 D 1 1 0.4271000 1.0000000 D 1 1 0.1370000 1.0000000 F 1 1 0.9930000 1.0000000'); INSERT INTO "data_tab" VALUES(115,'Au','GOLD S 1 1 2.8090000 1.0000000 S 1 1 1.5950000 1.0000000 S 1 1 0.5327000 1.0000000 S 1 1 0.2826000 1.0000000 S 1 1 0.0598000 1.0000000 P 1 1 3.6840000 1.0000000 P 1 1 1.6660000 1.0000000 P 1 1 0.5989000 1.0000000 P 1 1 0.0977000 1.0000000 P 1 1 0.0279000 1.0000000 D 1 1 1.2870000 1.0000000 D 1 1 0.4335000 1.0000000 D 1 1 0.1396000 1.0000000 F 1 1 1.0500000 1.0000000'); INSERT INTO "data_tab" VALUES(116,'H','HYDROGEN S 1 1 0.0498000 1.0000000 P 1 1 0.3560000 1.0000000'); INSERT INTO "data_tab" VALUES(116,'C','CARBON P 1 1 0.0311000 1.0000000 D 1 1 0.5870000 1.0000000'); INSERT INTO "data_tab" VALUES(116,'N','NITROGEN P 1 1 0.0533000 1.0000000 D 1 1 0.7360000 1.0000000'); INSERT INTO "data_tab" VALUES(116,'O','OXYGEN P 1 1 0.0673000 1.0000000 D 1 1 0.9610000 1.0000000'); INSERT INTO "data_tab" VALUES(116,'F','FLUORINE P 1 1 0.0737000 1.0000000 D 1 1 1.5770000 1.0000000'); INSERT INTO "data_tab" VALUES(116,'Si','SILICON P 1 1 0.0237000 1.0000000 D 1 1 0.2960000 1.0000000'); INSERT INTO "data_tab" VALUES(116,'P','PHOSPHORUS P 1 1 0.0298000 1.0000000 D 1 1 0.3640000 1.0000000'); INSERT INTO "data_tab" VALUES(116,'S','SULFUR P 1 1 0.0347000 1.0000000 D 1 1 0.4960000 1.0000000'); INSERT INTO "data_tab" VALUES(116,'Cl','CHLORINE P 1 1 0.0467000 1.0000000 D 1 1 0.6480000 1.0000000'); INSERT INTO "data_tab" VALUES(116,'Ge','GERMANIUM P 1 1 0.0209000 1.0000000 D 1 1 0.2460000 1.0000000'); INSERT INTO "data_tab" VALUES(116,'As','ARSENIC P 1 1 0.0263000 1.0000000 D 1 1 0.2860000 1.0000000'); INSERT INTO "data_tab" VALUES(116,'Se','SELENIUM P 1 1 0.0328000 1.0000000 D 1 1 0.3630000 1.0000000'); INSERT INTO "data_tab" VALUES(116,'Br','BROMINE P 1 1 0.0376000 1.0000000 D 1 1 0.4340000 1.0000000'); INSERT INTO "data_tab" VALUES(116,'Sn','TIN P 1 1 0.0174000 1.0000000 D 1 1 0.1860000 1.0000000'); INSERT INTO "data_tab" VALUES(116,'Sb','ANTIMONY P 1 1 0.0220000 1.0000000 D 1 1 0.2070000 1.0000000'); INSERT INTO "data_tab" VALUES(116,'Te','TELLURIUM P 1 1 0.0274000 1.0000000 D 1 1 0.2500000 1.0000000'); INSERT INTO "data_tab" VALUES(116,'I','IODINE P 1 1 0.0308000 1.0000000 D 1 1 0.2940000 1.0000000'); INSERT INTO "data_tab" VALUES(116,'Pb','LEAD P 1 1 0.0168000 1.0000000 D 1 1 0.1790000 1.0000000'); INSERT INTO "data_tab" VALUES(116,'Bi','BISMUTH P 1 1 0.0204000 1.0000000 D 1 1 0.1920000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'H','HYDROGEN S 3 1 19.2384000 0.0328280 2 2.8987000 0.2312040 3 0.6535000 0.8172260 S 1 1 0.1776000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'Li','LITHIUM S 7 1 921.3000000 0.0013670 2 138.7000000 0.0104250 3 31.9400000 0.0498590 4 9.3530000 0.1607010 5 3.1580000 0.3446040 6 1.1570000 0.4251970 7 0.4446000 0.1694680 S 2 1 0.4446000 -0.2223110 2 0.0766600 1.1164770 S 1 1 0.0286400 1.0000000 P 3 1 1.4880000 0.0387700 2 0.2667000 0.2362570 3 0.0720100 0.8304480 P 1 1 0.0237000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'Be','BERYLLIUM S 7 1 1741.0000000 0.0013050 2 262.1000000 0.0099550 3 60.3300000 0.0480310 4 17.6200000 0.1585770 5 5.9330000 0.3513250 6 2.1850000 0.4270060 7 0.8590000 0.1604900 S 2 1 2.1850000 -0.1852940 2 0.1806000 1.0570140 S 1 1 0.0583500 1.0000000 P 4 1 6.7100000 0.0163780 2 1.4420000 0.0915530 3 0.4103000 0.3414690 4 0.1397000 0.6854280 P 1 1 0.0492200 1.0000000'); INSERT INTO "data_tab" VALUES(117,'B','BORON S 7 1 2788.0000000 0.0012880 2 419.0000000 0.0098350 3 96.4700000 0.0476480 4 28.0700000 0.1600690 5 9.3760000 0.3628940 6 3.4060000 0.4335820 7 1.3060000 0.1400820 S 2 1 3.4060000 -0.1793300 2 0.3245000 1.0625940 S 1 1 0.1022000 1.0000000 P 4 1 11.3400000 0.0179880 2 2.4360000 0.1103430 3 0.6836000 0.3830720 4 0.2134000 0.6478950 P 1 1 0.0701100 1.0000000'); INSERT INTO "data_tab" VALUES(117,'C','CARBON S 7 1 4233.0000000 0.0012200 2 634.9000000 0.0093420 3 146.1000000 0.0454520 4 42.5000000 0.1546570 5 14.1900000 0.3588660 6 5.1480000 0.4386320 7 1.9670000 0.1459180 S 2 1 5.1480000 -0.1683670 2 0.4962000 1.0600910 S 1 1 0.1533000 1.0000000 P 4 1 18.1600000 0.0185390 2 3.9860000 0.1154360 3 1.1430000 0.3861880 4 0.3594000 0.6401140 P 1 1 0.1146000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'N','NITROGEN S 7 1 5909.0000000 0.0011900 2 887.5000000 0.0090990 3 204.7000000 0.0441450 4 59.8400000 0.1504640 5 20.0000000 0.3567410 6 7.1930000 0.4465330 7 2.6860000 0.1456030 S 2 1 7.1930000 -0.1604050 2 0.7000000 1.0582150 S 1 1 0.2133000 1.0000000 P 4 1 26.7900000 0.0182540 2 5.9560000 0.1164610 3 1.7070000 0.3901780 4 0.5314000 0.6371020 P 1 1 0.1654000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'O','OXYGEN S 7 1 7817.0000000 0.0011760 2 1176.0000000 0.0089680 3 273.2000000 0.0428680 4 81.1700000 0.1439300 5 27.1800000 0.3556300 6 9.5320000 0.4612480 7 3.4140000 0.1402060 S 2 1 9.5320000 -0.1541530 2 0.9398000 1.0569140 S 1 1 0.2846000 1.0000000 P 4 1 35.1800000 0.0195800 2 7.9040000 0.1242000 3 2.3050000 0.3947140 4 0.7171000 0.6273760 P 1 1 0.2137000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'F','FLUORINE S 7 1 9995.0000000 0.0011600 2 1506.0000000 0.0088700 3 350.3000000 0.0423800 4 104.1000000 0.1429290 5 34.8400000 0.3553720 6 12.2200000 0.4620850 7 4.3690000 0.1408480 S 2 1 12.2200000 -0.1484520 2 1.2080000 1.0552700 S 1 1 0.3634000 1.0000000 P 4 1 44.3600000 0.0208760 2 10.0800000 0.1301070 3 2.9960000 0.3961660 4 0.9383000 0.6204040 P 1 1 0.2733000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'Ne','NEON S 7 1 12100.0000000 0.0012000 2 1821.0000000 0.0090920 3 432.8000000 0.0413050 4 132.5000000 0.1378670 5 43.7700000 0.3624330 6 14.9100000 0.4722470 7 5.1270000 0.1300350 S 2 1 14.9100000 -0.1408100 2 1.4910000 1.0533270 S 1 1 0.4468000 1.0000000 P 4 1 56.4500000 0.0208750 2 12.9200000 0.1300320 3 3.8650000 0.3956790 4 1.2030000 0.6214500 P 1 1 0.3444000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'Na','SODIUM S 2 1 0.4972000 -0.2753574 2 0.0560000 1.0989969 S 1 1 0.0221000 1.0000000 P 2 1 0.6697000 -0.0683845 2 0.0636000 1.0140550 P 1 1 0.0204000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'Mg','MAGNESIUM S 2 1 0.7250000 -0.4058454 2 0.1112000 1.1688704 S 1 1 0.0404000 1.0000000 P 2 1 1.2400000 -0.0749753 2 0.1346000 1.0178183 P 1 1 0.0422000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'Al','ALUMINUM S 2 1 0.9615000 -0.5021546 2 0.1819000 1.2342547 S 1 1 0.0657000 1.0000000 P 2 1 1.9280000 -0.0712584 2 0.2013000 1.0162966 P 1 1 0.0580000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'Si','SILICON S 2 1 1.2220000 -0.5707339 2 0.2595000 1.2823826 S 1 1 0.0931000 1.0000000 P 2 1 2.5800000 -0.0777250 2 0.2984000 1.0197870 P 1 1 0.0885000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'P','PHOSPHORUS S 2 1 1.5160000 -0.5862089 2 0.3369000 1.2994376 S 1 1 0.1211000 1.0000000 P 2 1 3.7050000 -0.0691472 2 0.3934000 1.0161988 P 1 1 0.1190000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'S','SULFUR S 2 1 1.8500000 -0.5324335 2 0.4035000 1.2763801 S 1 1 0.1438000 1.0000000 P 2 1 4.9450000 -0.0608116 2 0.4870000 1.0132686 P 1 1 0.1379000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'Cl','CHLORINE S 2 1 2.2310000 -0.4900589 2 0.4720000 1.2542684 S 1 1 0.1631000 1.0000000 P 2 1 6.2960000 -0.0635641 2 0.6333000 1.0141355 P 1 1 0.1819000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'Ar','ARGON S 2 1 2.6130000 -0.5110463 2 0.5736000 1.2701236 S 1 1 0.2014000 1.0000000 P 2 1 7.8600000 -0.0555167 2 0.7387000 1.0115982 P 1 1 0.2081000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'K','POTASSIUM S 3 1 3.0720000 -0.3083067 2 0.6752000 0.7820711 3 0.2545000 0.4142883 S 4 1 3.0720000 0.1894087 2 0.6752000 -0.5472332 3 0.2545000 -0.7576458 4 0.0529000 0.9952157 S 1 1 0.0209000 1.0000000 P 3 1 8.2330000 -0.0419919 2 0.9526000 0.5776819 3 0.3013000 0.5234611 P 1 1 0.0376000 1.0000000 P 1 1 0.0140000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'Ca','CALCIUM S 3 1 3.4840000 -0.3337370 2 0.8551000 0.7589831 3 0.3192000 0.4606109 S 4 1 3.4840000 0.2606030 2 0.8551000 -0.6839150 3 0.3192000 -1.1987807 4 0.1447000 1.0251221 S 1 1 0.0350000 1.0000000 P 3 1 9.4200000 -0.0436943 2 1.1500000 0.6034747 3 0.3688000 0.4961107 P 1 1 0.0705000 1.0000000 P 1 1 0.0263000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'Sc','SCANDIUM S 3 1 3.7170000 -0.3926292 2 1.0970000 0.7147339 3 0.4164000 0.5509400 S 4 1 3.7170000 0.2197446 2 1.0970000 -0.4546067 3 0.4164000 -0.6938181 4 0.0761000 1.1260172 S 1 1 0.0284000 1.0000000 P 3 1 10.4000000 -0.0492615 2 1.3110000 0.6071965 3 0.4266000 0.4917582 P 1 1 0.0470000 1.0000000 P 1 1 0.0140000 1.0000000 D 4 1 15.1300000 0.0379291 2 4.2050000 0.1738360 3 1.3030000 0.4268057 4 0.3680000 0.6238539 D 1 1 0.0812000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'Ti','TITANIUM S 3 1 4.3720000 -0.3637098 2 1.0980000 0.8184533 3 0.4178000 0.4184526 S 4 1 4.3720000 0.2049027 2 1.0980000 -0.5575413 3 0.4178000 -0.5893652 4 0.0872000 1.1451661 S 1 1 0.0314000 1.0000000 P 3 1 12.5200000 -0.0456908 2 1.4910000 0.6203313 3 0.4859000 0.4765329 P 1 1 0.0530000 1.0000000 P 1 1 0.0160000 1.0000000 D 4 1 20.2100000 0.0341682 2 5.4950000 0.1710006 3 1.6990000 0.4405849 4 0.4840000 0.6114246 D 1 1 0.1157000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'V','VANADIUM S 3 1 4.5900000 -0.4277302 2 1.4930000 0.7069691 3 0.5570000 0.5895813 S 4 1 4.5900000 0.2501081 2 1.4930000 -0.4697777 3 0.5570000 -0.7129415 4 0.0975000 1.1006569 S 1 1 0.0342000 1.0000000 P 3 1 13.7600000 -0.0482312 2 1.7120000 0.6141161 3 0.5587000 0.4838342 P 1 1 0.0590000 1.0000000 P 1 1 0.0180000 1.0000000 D 4 1 25.7000000 0.0331033 2 6.5300000 0.1795753 3 2.0780000 0.4373062 4 0.6243000 0.5984860 D 1 1 0.1542000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'Cr','CHROMIUM S 3 1 5.3610000 -0.3805689 2 1.4490000 0.7795625 3 0.5496000 0.4730777 S 4 1 5.3610000 0.2203111 2 1.4490000 -0.5423391 3 0.5496000 -0.6047716 4 0.1052000 1.1136657 S 1 1 0.0364000 1.0000000 P 3 1 16.4200000 -0.0461397 2 1.9140000 0.6109965 3 0.6241000 0.4859635 P 1 1 0.0630000 1.0000000 P 1 1 0.0190000 1.0000000 D 4 1 28.9500000 0.0337787 2 7.7080000 0.1780345 3 2.4950000 0.4370008 4 0.7655000 0.5941795 D 1 1 0.1889000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'Mn','MANGANESE S 3 1 5.9140000 -0.3764508 2 1.6050000 0.7724789 3 0.6260000 0.4769346 S 4 1 5.9140000 0.2119966 2 1.6050000 -0.5199472 3 0.6260000 -0.5857681 4 0.1115000 1.1003964 S 1 1 0.0380000 1.0000000 P 3 1 18.2000000 -0.0447901 2 2.1410000 0.6260311 3 0.7009000 0.4696329 P 1 1 0.0690000 1.0000000 P 1 1 0.0210000 1.0000000 D 4 1 32.2700000 0.0341580 2 8.8750000 0.1761105 3 2.8900000 0.4394298 4 0.8761000 0.5943271 D 1 1 0.2120000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'Fe','IRON S 3 1 6.4220000 -0.3927882 2 1.8260000 0.7712643 3 0.7135000 0.4920228 S 4 1 6.4220000 0.1786877 2 1.8260000 -0.4194032 3 0.7135000 -0.4568185 4 0.1021000 1.1035048 S 1 1 0.0363000 1.0000000 P 3 1 19.4800000 -0.0470282 2 2.3890000 0.6248841 3 0.7795000 0.4722542 P 1 1 0.0740000 1.0000000 P 1 1 0.0220000 1.0000000 D 4 1 37.0800000 0.0329000 2 10.1000000 0.1787418 3 3.2200000 0.4487657 4 0.9628000 0.5876361 D 1 1 0.2262000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'Co','COBALT S 3 1 7.1760000 -0.3856734 2 2.0090000 0.7453116 3 0.8055000 0.5091819 S 4 1 7.1760000 0.1736161 2 2.0090000 -0.3970442 3 0.8055000 -0.4630622 4 0.1070000 1.0899654 S 1 1 0.0375000 1.0000000 P 3 1 21.3900000 -0.0480413 2 2.6500000 0.6222337 3 0.8619000 0.4758042 P 1 1 0.0800000 1.0000000 P 1 1 0.0230000 1.0000000 D 4 1 39.2500000 0.0361541 2 10.7800000 0.1896744 3 3.4960000 0.4524981 4 1.0660000 0.5710427 D 1 1 0.2606000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'Ni','NICKEL S 3 1 7.6200000 -0.4082550 2 2.2940000 0.7455308 3 0.8760000 0.5325721 S 4 1 7.6200000 0.1872591 2 2.2940000 -0.3966964 3 0.8760000 -0.4954003 4 0.1153000 1.0844343 S 1 1 0.0396000 1.0000000 P 3 1 23.6600000 -0.0481558 2 2.8930000 0.6258473 3 0.9435000 0.4715158 P 1 1 0.0840000 1.0000000 P 1 1 0.0240000 1.0000000 D 4 1 42.7200000 0.0372699 2 11.7600000 0.1956103 3 3.8170000 0.4561273 4 1.1690000 0.5621587 D 1 1 0.2836000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'Cu','COPPER S 3 1 8.1760000 -0.4210260 2 2.5680000 0.7385924 3 0.9587000 0.5525692 S 4 1 8.1760000 0.1787665 2 2.5680000 -0.3592273 3 0.9587000 -0.4704825 4 0.1153000 1.0807407 S 1 1 0.0396000 1.0000000 P 3 1 25.6300000 -0.0489173 2 3.1660000 0.6272854 3 1.0230000 0.4716188 P 1 1 0.0860000 1.0000000 P 1 1 0.0240000 1.0000000 D 4 1 41.3400000 0.0465424 2 11.4200000 0.2227824 3 3.8390000 0.4539059 4 1.2300000 0.5314769 D 1 1 0.3102000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'Zn','ZINC S 2 1 0.7997000 -0.6486112 2 0.1752000 1.3138291 S 1 1 0.0556000 1.0000000 P 1 1 0.1202000 1.0000000 P 1 1 0.0351000 1.0000000 D 4 1 68.8500000 0.0258532 2 18.3200000 0.1651195 3 5.9220000 0.4468212 4 1.9270000 0.5831080 D 1 1 0.5528000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'Ga','GALLIUM S 2 1 0.8306000 -1.6759436 2 0.3392000 1.9877108 S 1 1 0.0918000 1.0000000 P 2 1 1.6750000 -0.0856107 2 0.2030000 1.0226850 P 1 1 0.0579000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'Ge','GERMANIUM S 2 1 0.8935000 -2.1756591 2 0.4424000 2.4493467 S 1 1 0.1162000 1.0000000 P 2 1 1.8770000 -0.1006779 2 0.2623000 1.0306256 P 1 1 0.0798000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'As','ARSENIC S 2 1 0.9635000 -2.6709549 2 0.5427000 2.9387892 S 1 1 0.1407000 1.0000000 P 2 1 2.0840000 -0.1137100 2 0.3224000 1.0380266 P 1 1 0.1020000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'Se','SELENIUM S 2 1 1.0330000 -3.3224095 2 0.6521000 3.6003462 S 1 1 0.1660000 1.0000000 P 2 1 2.3660000 -0.1185522 2 0.3833000 1.0414320 P 1 1 0.1186000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'Br','BROMINE S 2 1 1.1590000 -3.0378769 2 0.7107000 3.3703735 S 1 1 0.1905000 1.0000000 P 2 1 2.6910000 -0.1189800 2 0.4446000 1.0424471 P 1 1 0.1377000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'Kr','KRYPTON S 2 1 1.2270000 -4.0317198 2 0.8457000 4.3554125 S 1 1 0.2167000 1.0000000 P 2 1 2.9200000 -0.1330685 2 0.5169000 1.0502807 P 1 1 0.1614000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'Rb','RUBIDIUM S 3 1 1.4570000 -1.0617406 2 0.9400000 1.1722125 3 0.2706000 0.7437008 S 4 1 1.4570000 0.5052174 2 0.9400000 -0.5718404 3 0.2706000 -0.6835308 4 0.0366000 1.1136477 S 1 1 0.0155000 1.0000000 P 3 1 3.3000000 -0.0729417 2 0.5985000 0.6321782 3 0.2067000 0.4707426 P 2 1 0.1947000 -0.1250552 2 0.0318000 1.0438206 P 1 1 0.0124000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'Sr','STRONTIUM S 3 1 1.6480000 -0.9519879 2 1.0030000 1.0869857 3 0.3106000 0.7203160 S 4 1 1.6480000 0.7914337 2 1.0030000 -0.9434046 3 0.3106000 -1.3043063 4 0.1099000 0.9046869 S 1 1 0.0292000 1.0000000 P 3 1 3.5520000 -0.0886461 2 0.6975000 0.6661857 3 0.2480000 0.4390705 P 2 1 0.2735000 -0.1787470 2 0.0570000 1.0766134 P 1 1 0.0222000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'Y','YTTRIUM S 3 1 1.7510000 -1.1617905 2 1.1430000 1.2958877 3 0.3581000 0.7115125 S 4 1 1.7510000 0.9683123 2 1.1430000 -1.1346367 3 0.3581000 -1.1914054 4 0.1058000 0.9281063 S 1 1 0.0318000 1.0000000 P 3 1 3.8840000 -0.0820601 2 0.7660000 0.6756413 3 0.2890000 0.4195482 P 2 1 0.2896000 -0.1501080 2 0.0629000 1.0686926 P 1 1 0.0223000 1.0000000 D 3 1 1.5230000 0.1074843 2 0.5634000 0.4563954 3 0.1834000 0.6039855 D 1 1 0.0569000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'Zr','ZIRCONIUM S 3 1 1.9760000 -0.9206745 2 1.1540000 1.0929033 3 0.3910000 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"data_tab" VALUES(117,'Ta','TANTALUM S 3 1 2.0440000 -1.3104779 2 1.2670000 1.6579925 3 0.4157000 0.4848337 S 4 1 2.0440000 1.1897315 2 1.2670000 -1.6650462 3 0.4157000 -1.0563335 4 0.1671000 1.1840652 S 1 1 0.0482000 1.0000000 P 3 1 2.5650000 -0.2917238 2 1.2290000 0.7570649 3 0.4244000 0.5240081 P 2 1 0.4360000 -0.1513014 2 0.0840000 1.0613123 P 1 1 0.0280000 1.0000000 D 2 1 0.8948000 0.4731072 2 0.2989000 0.6399200 D 1 1 0.0935000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'W','TUNGSTEN S 3 1 2.1370000 -1.3916151 2 1.3470000 1.7510261 3 0.4366000 0.4694647 S 4 1 2.1370000 1.2985088 2 1.3470000 -1.8102429 3 0.4366000 -1.0844531 4 0.1883000 1.2580618 S 1 1 0.0518000 1.0000000 P 3 1 3.0050000 -0.2405563 2 1.2280000 0.7364092 3 0.4415000 0.4881487 P 2 1 0.4010000 -0.1497499 2 0.0900000 1.0707463 P 1 1 0.0280000 1.0000000 D 2 1 0.9519000 0.4985265 2 0.3270000 0.6111110 D 1 1 0.1054000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'Re','RHENIUM S 3 1 2.1850000 -1.6223730 2 1.4510000 1.9938647 3 0.4585000 0.4531166 S 4 1 2.1850000 1.5459752 2 1.4510000 -2.0758927 3 0.4585000 -1.1922396 4 0.2314000 1.2272864 S 1 1 0.0566000 1.0000000 P 3 1 3.3580000 -0.2318667 2 1.2710000 0.7458683 3 0.4644000 0.4632686 P 2 1 0.4960000 -0.1311370 2 0.0890000 1.0503671 P 1 1 0.0280000 1.0000000 D 2 1 1.1160000 0.4689888 2 0.4267000 0.6209591 D 1 1 0.1378000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'Os','OSMIUM S 3 1 2.2220000 -1.6538036 2 1.4960000 2.0670297 3 0.4774000 0.4232017 S 4 1 2.2220000 1.6046968 2 1.4960000 -2.2120386 3 0.4774000 -1.1301209 4 0.2437000 1.2654553 S 1 1 0.0583000 1.0000000 P 3 1 2.5180000 -0.4177345 2 1.4600000 0.9434947 3 0.4923000 0.4672976 P 2 1 0.5100000 -0.1490279 2 0.0980000 1.0603616 P 1 1 0.0290000 1.0000000 D 2 1 1.1830000 0.4838470 2 0.4492000 0.6079573 D 1 1 0.1463000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'Ir','IRIDIUM S 3 1 2.3500000 -1.6784642 2 1.5820000 2.0952553 3 0.5018000 0.4162934 S 4 1 2.3500000 1.6464467 2 1.5820000 -2.2748150 3 0.5018000 -1.0494357 4 0.2500000 1.2167791 S 1 1 0.0598000 1.0000000 P 3 1 2.7920000 -0.3889212 2 1.5410000 0.9077516 3 0.5285000 0.4691443 P 2 1 0.5100000 -0.1170669 2 0.0980000 1.0489002 P 1 1 0.0290000 1.0000000 D 2 1 1.2400000 0.5087022 2 0.4647000 0.5862102 D 1 1 0.1529000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'Pt','PLATINUM S 3 1 2.5470000 -1.4739175 2 1.6140000 1.9115719 3 0.5167000 0.3922319 S 4 1 2.5470000 1.4388166 2 1.6140000 -2.0911821 3 0.5167000 -1.0921315 4 0.2651000 1.3426596 S 1 1 0.0580000 1.0000000 P 3 1 2.9110000 -0.5247438 2 1.8360000 0.9671884 3 0.5982000 0.5438632 P 2 1 0.6048000 -0.1061438 2 0.0996000 1.0383102 P 1 1 0.0290000 1.0000000 D 2 1 1.2430000 0.5598150 2 0.4271000 0.5511090 D 1 1 0.1370000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'Au','GOLD S 3 1 2.8090000 -1.2021556 2 1.5950000 1.6741578 3 0.5327000 0.3526593 S 4 1 2.8090000 1.1608481 2 1.5950000 -1.8642846 3 0.5327000 -1.0356230 4 0.2826000 1.3064399 S 1 1 0.0598000 1.0000000 P 3 1 3.6840000 -0.2802681 2 1.6660000 0.7818398 3 0.5989000 0.4804776 P 2 1 0.6838000 -0.0952078 2 0.0977000 1.0299147 P 1 1 0.0279000 1.0000000 D 2 1 1.2870000 0.5844273 2 0.4335000 0.5298161 D 1 1 0.1396000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'Hg','MERCURY S 2 1 0.5275000 -0.4911676 2 0.2334000 0.6044070 S 1 1 0.0686100 1.0000000 P 2 1 0.6503000 -0.0672271 2 0.1368000 0.4979023 P 1 1 0.0425600 1.0000000 D 2 1 1.4840000 0.4899927 2 0.5605000 0.4932711 D 1 1 0.1923000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'Tl','THALLIUM S 2 1 0.5355000 -0.8008350 2 0.3082000 0.9220130 S 1 1 0.0818300 1.0000000 P 2 1 0.7977000 -0.0690671 2 0.1498000 0.5109710 P 1 1 0.0443500 1.0000000 D 2 1 8.6550000 0.0156029 2 1.4150000 0.6226510 D 1 1 0.4442000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'Pb','LEAD S 2 1 0.5135000 -4.3675036 2 0.3756000 4.8504656 S 1 1 0.0944000 1.0000000 P 2 1 0.8748000 -0.1793128 2 0.1843000 1.0776505 P 1 1 0.0598000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'Bi','BISMUTH S 2 1 0.5744000 -3.2278875 2 0.3851000 3.7637689 S 1 1 0.1050000 1.0000000 P 2 1 0.9105000 -0.2164189 2 0.2194000 1.1041867 P 1 1 0.0745000 1.0000000'); INSERT INTO "data_tab" VALUES(117,'U','URANIUM S 4 1 2.4440000 0.2802780 2 1.4330000 -1.3231100 3 0.6677000 1.3949990 4 0.2556000 0.4531230 S 5 1 2.4440000 -0.0837540 2 1.4330000 0.6082360 3 0.6677000 -0.8184330 4 0.2556000 -0.9057530 5 0.1200000 1.2340200 S 1 1 0.0400000 1.0000000 P 3 1 1.1380000 -0.5581500 2 0.6874000 0.9701720 3 0.2506000 0.5419030 P 4 1 1.1380000 0.2257630 2 0.6874000 -0.4204690 3 0.2506000 -0.5459030 4 0.1200000 0.7429360 P 1 1 0.0400000 1.0000000 D 1 1 0.3826000 1.0000000 D 1 1 0.1473000 1.0000000 F 2 1 4.1130000 0.2189930 2 1.6970000 0.4595390 F 2 1 0.6774000 0.4216990 2 0.2510000 0.1790660'); INSERT INTO "data_tab" VALUES(117,'Np','NEPTUNIUM S 4 1 2.3780000 0.5719500 2 1.5750000 -1.9571550 3 0.8950000 1.4731800 4 0.3180000 0.7126170 S 5 1 2.3780000 -0.2204320 2 1.5750000 0.9324950 3 0.8950000 -0.8246300 4 0.3180000 -0.9022650 5 0.1130000 1.1030570 S 1 1 0.0400000 1.0000000 P 3 1 1.3050000 -0.4680230 2 0.7210000 0.8473720 3 0.2690000 0.5628310 P 4 1 1.3050000 0.1995460 2 0.7210000 -0.3949300 3 0.2690000 -0.4360310 4 0.1000000 0.7862530 P 1 1 0.0374000 1.0000000 D 1 1 0.3960000 1.0000000 D 1 1 0.1500000 1.0000000 F 2 1 4.7910000 0.1853610 2 1.9830000 0.4568540 F 2 1 0.7890000 0.4369420 2 0.2900000 0.1981980'); INSERT INTO "data_tab" VALUES(117,'Pu','PLUTONIUM S 5 1 11.5600000 -0.0364860 2 2.4870000 1.6156990 3 1.7990000 -3.6388560 4 1.1760000 2.0314710 5 0.3590000 0.8533040 S 6 1 11.5600000 0.0175310 2 2.4870000 -0.7027910 3 1.7990000 1.7339680 4 1.1760000 -1.0902960 5 0.3590000 -0.9450600 6 0.1130000 1.1062660 S 1 1 0.0400000 1.0000000 P 4 1 2.5800000 0.2005000 2 1.6220000 -0.5912260 3 0.7482000 0.7974730 4 0.2793000 0.5635550 P 5 1 2.5800000 -0.0697090 2 1.6220000 0.2196110 3 0.7482000 -0.3575470 4 0.2793000 -0.4281660 5 0.1000000 0.7932680 P 1 1 0.0370000 1.0000000 D 1 1 0.4090000 1.0000000 D 1 1 0.1520000 1.0000000 F 2 1 4.8570000 0.2066870 2 2.0310000 0.4696250 F 2 1 0.8150000 0.4212150 2 0.3020000 0.1725220'); INSERT INTO "data_tab" VALUES(118,'H','HYDROGEN S 3 1 19.2384000 0.0328280 2 2.8987000 0.2312040 3 0.6535000 0.8172260 S 1 1 0.1776000 1.0000000 S 1 1 0.0498000 1.0000000 P 1 1 0.3560000 1.0000000'); INSERT INTO "data_tab" VALUES(118,'C','CARBON S 7 1 4233.0000000 0.0012200 2 634.9000000 0.0093420 3 146.1000000 0.0454520 4 42.5000000 0.1546570 5 14.1900000 0.3588660 6 5.1480000 0.4386320 7 1.9670000 0.1459180 S 2 1 5.1480000 -0.1683670 2 0.4962000 1.0600910 S 1 1 0.1533000 1.0000000 P 4 1 18.1600000 0.0185390 2 3.9860000 0.1154360 3 1.1430000 0.3861880 4 0.3594000 0.6401140 P 1 1 0.1146000 1.0000000 P 1 1 0.0311000 1.0000000 D 1 1 0.5870000 1.0000000'); INSERT INTO "data_tab" VALUES(118,'N','NITROGEN S 7 1 5909.0000000 0.0011900 2 887.5000000 0.0090990 3 204.7000000 0.0441450 4 59.8400000 0.1504640 5 20.0000000 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0.5877290 S 1 1 0.3581100 1.0000000 P 2 1 10.5770700 0.1262700 2 2.1949800 0.4779480 P 1 1 0.4793700 1.0000000'); INSERT INTO "data_tab" VALUES(128,'Ne','NEON S 3 1 456.9528500 0.0669100 2 68.3654300 0.3893490 3 14.6197600 0.6705180 S 2 1 19.3271900 -0.0802500 2 1.4418200 0.5952980 S 1 1 0.4440800 1.0000000 P 2 1 13.3525200 0.1288400 2 2.7794700 0.4804410 P 1 1 0.6009700 1.0000000'); INSERT INTO "data_tab" VALUES(128,'Na','SODIUM S 3 1 542.7605300 0.0684100 2 81.9594700 0.3920920 3 17.7237700 0.6660840 S 3 1 23.2804200 -0.0838010 2 1.8683400 0.5827940 3 0.6232500 0.4924740 S 2 1 0.5067300 -0.1157620 2 0.0535100 0.6958630 S 1 1 0.0208000 1.0000000 P 3 1 17.8363600 0.1257100 2 3.7956900 0.4804610 3 0.8775100 0.6022810'); INSERT INTO "data_tab" VALUES(128,'Al','ALUMINUM S 3 1 777.4433400 0.0668870 2 117.2315300 0.3877680 3 25.3762970 0.6707030 S 3 1 33.3562530 -0.0889560 2 2.8013150 0.6010610 3 1.0227330 0.4687860 S 2 1 1.3291880 -0.1513890 2 0.1616630 0.6593860 S 1 1 0.0589890 1.0000000 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2.3393420 0.4135730 S 2 1 4.0453070 0.2007360 2 0.5657010 -0.6962680 S 1 1 0.2040650 1.0000000 P 3 1 74.3529150 0.1000790 2 16.6313460 0.4542260 3 4.5039270 0.6152500 P 2 1 1.3570910 0.2372760 2 0.4881130 0.5583600 P 1 1 0.1621260 1.0000000'); INSERT INTO "data_tab" VALUES(128,'K','POTASSIUM S 3 1 1721.1755000 0.0648750 2 260.0163300 0.3808590 3 56.6245540 0.6773680 S 3 1 75.0556000 -0.0978730 2 6.6911630 0.6595600 3 2.6671660 0.4065290 S 3 1 4.6689370 -0.2129300 2 0.7000130 0.6892490 3 0.2753340 0.4339250 S 2 1 0.2523120 -0.1529800 2 0.0376310 0.6817280 S 1 1 0.0162180 1.0000000 P 3 1 85.7898460 0.0980350 2 19.2547940 0.4510410 3 5.2686240 0.6177080 P 3 1 1.6831450 0.2386360 2 0.6258090 0.5710570 3 0.2238980 0.3165360'); INSERT INTO "data_tab" VALUES(128,'Cs','CESIUM S 3 1 15525.8660000 0.0607240 2 2349.0055000 0.3658420 3 516.2355500 0.6920470 S 3 1 687.5050500 -0.1102130 2 67.1911570 0.7272030 3 27.9920030 0.3401430 S 3 1 60.1681880 -0.2753150 2 10.8686940 0.8901280 3 4.7407050 0.2648630 S 3 1 9.8871630 -0.3688270 2 2.3693430 0.8325820 3 1.1416760 0.3887890 S 3 1 1.7690780 -0.3409420 2 0.3836200 0.7000970 3 0.1713060 0.4934520 S 2 1 0.2118490 -0.2750220 2 0.0403240 0.1936040 S 1 1 0.0170580 1.0000000 P 3 1 1024.2833000 0.0791850 2 239.6488900 0.4199330 3 71.2555480 0.6432510 P 3 1 139.4586400 -0.0331230 2 25.8108100 0.3891080 3 10.1394520 0.6790330 P 3 1 4.3242440 0.3816690 2 1.9364150 0.5769760 3 0.8145050 0.1154050 P 3 1 0.5945840 0.3199070 2 0.2749920 0.5531870 3 0.1115530 0.2160880 D 3 1 144.0513900 0.1118300 2 40.5051460 0.4768350 3 13.0862440 0.5954170 D 3 1 7.3715780 0.2537250 2 2.7248240 0.5788860 3 1.0266780 0.3325980'); INSERT INTO "data_tab" VALUES(129,'H','HYDROGEN S 2 1 4.5018000 0.0704520 2 0.6814440 0.4078260 S 1 1 0.1513980 1.0000000'); INSERT INTO "data_tab" VALUES(129,'C','CARBON S 3 1 153.1722600 0.0707400 2 23.0730300 0.3953800 3 4.9232900 0.6633110 S 2 1 5.7255700 -0.0813800 2 0.4550400 0.5748530 S 1 1 0.1470700 1.0000000 P 2 1 4.2513100 0.1099310 2 0.8632700 0.4627130 P 1 1 0.2013500 1.0000000'); INSERT INTO "data_tab" VALUES(129,'N','NITROGEN S 3 1 218.3644900 0.0678700 2 32.5988900 0.3902020 3 6.9173900 0.6700830 S 2 1 8.3263800 -0.0808900 2 0.6591900 0.5672020 S 1 1 0.2100900 1.0000000 P 2 1 6.1203500 0.1159190 2 1.2593800 0.4699580 P 1 1 0.2914500 1.0000000 D 1 1 0.8500000 1.0000000'); INSERT INTO "data_tab" VALUES(129,'O','OXYGEN S 3 1 281.8665800 0.0690600 2 42.4160000 0.3931590 3 9.0956200 0.6656690 S 2 1 11.4660300 -0.0808200 2 0.8878600 0.5820900 S 1 1 0.2788000 1.0000000 P 2 1 8.0472400 0.1242710 2 1.6684200 0.4765940 P 1 1 0.3725100 1.0000000 D 1 1 0.8000000 1.0000000'); INSERT INTO "data_tab" VALUES(129,'F','FLUORINE S 3 1 368.3711200 0.0670400 2 55.0610600 0.3892490 3 11.7476700 0.6707880 S 2 1 15.1518400 -0.0805500 2 1.1513700 0.5877290 S 1 1 0.3581100 1.0000000 P 2 1 10.5770700 0.1262700 2 2.1949800 0.4779480 P 1 1 0.4793700 1.0000000 D 1 1 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(129,'Si','SILICON S 3 1 910.6550000 0.0660820 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 S 2 1 1.0791300 -0.3761080 2 0.3024220 1.2516500 S 1 1 0.0933390 1.0000000 P 3 1 36.6716000 0.1133550 2 8.3172900 0.4575780 3 2.2164500 0.6074270 P 2 1 1.0791300 0.0671030 2 0.3024220 0.9568830 P 1 1 0.0933390 1.0000000 D 1 1 0.4000000 1.0000000'); INSERT INTO "data_tab" VALUES(129,'P','PHOSPHORUS S 3 1 1053.2658000 0.0658650 2 158.7904400 0.3845780 3 34.4244070 0.6739630 S 3 1 45.4503800 -0.0926550 2 3.8999260 0.6265130 3 1.4885070 0.4410390 S 2 1 2.3008410 -0.1805490 2 0.2989590 0.6809520 S 1 1 0.1088540 1.0000000 P 3 1 46.1000190 0.1053880 2 10.1650570 0.4597120 3 2.6447940 0.6137140 P 2 1 0.6326860 0.2358850 2 0.2402190 0.5541600 P 1 1 0.0864470 1.0000000 D 1 1 0.2500000 1.0000000'); INSERT INTO "data_tab" VALUES(129,'S','SULFUR S 3 1 1201.4584000 0.0657650 2 181.3921200 0.3839480 3 39.4047950 0.6743720 S 3 1 52.1390300 -0.0942320 2 4.5287990 0.6354680 3 1.7549380 0.4315060 S 2 1 2.8404370 0.1900420 2 0.3814330 -0.6855270 S 1 1 0.1387860 1.0000000 P 3 1 54.6440710 0.1036730 2 12.1229020 0.4581900 3 3.2065040 0.6134000 P 2 1 0.8632740 0.2294360 2 0.1086790 0.3537000 P 1 1 0.3181300 1.0000000 D 1 1 0.4000000 1.0000000'); INSERT INTO "data_tab" VALUES(129,'Cl','CHLORINE S 3 1 1362.0220000 0.0655440 2 205.8111000 0.3829870 3 44.7721670 0.6752100 S 3 1 59.2257320 -0.0956200 2 5.2139020 0.6414260 3 2.0473460 0.4251530 S 2 1 3.4197120 0.1964010 2 0.4700170 -0.6923600 S 1 1 0.1699580 1.0000000 P 3 1 64.0999580 0.1017890 2 14.2871390 0.4561070 3 3.8281350 0.6142820 P 2 1 1.0951260 0.2359030 2 0.1321760 0.3466000 P 1 1 0.3960040 1.0000000 D 1 1 0.6500000 1.0000000'); INSERT INTO "data_tab" VALUES(129,'Br','BROMINE S 3 1 6103.2899000 0.06241800 2 923.6974300 0.37204100 3 202.5203100 0.68587300 S 3 1 270.6015000 -0.11214900 2 58.2535700 0.09314500 3 18.4693300 0.96167900 S 3 1 19.7614200 -0.29387000 2 6.8217520 0.28026600 3 2.2916290 0.90203600 S 2 1 2.1312060 -0.65180300 2 0.4993540 1.33601200 S 1 1 0.1647640 1.0000000 P 3 1 270.6015000 0.14775100 2 58.2535700 0.60105600 3 18.4693300 0.41287000 P 3 1 19.7614200 0.02500700 2 6.8217520 0.48661000 3 2.2916290 0.58242300 P 2 1 2.1312060 0.02870800 2 0.4993540 0.98407000 P 1 1 0.1647640 1.0000000 D 3 1 33.9650970 0.14966700 2 8.9008310 0.51174800 3 2.4284360 0.57591500 D 1 1 0.4000000 1.0000000'); INSERT INTO "data_tab" VALUES(129,'I','IODINE S 3 1 14351.1860000 0.0610030 2 2173.0741000 0.3666400 3 477.8720500 0.6911310 S 3 1 648.1887000 -0.1128510 2 140.3064000 0.0832280 3 45.6988000 0.9697520 S 3 1 56.6946900 -0.2736970 2 27.4887500 0.0465000 3 8.2090960 1.0915760 S 3 1 8.1916790 -0.4508280 2 3.2445960 0.4632090 3 1.3004890 0.8386360 S 2 1 1.4513800 -0.6658520 2 0.3281030 1.3285840 S 1 1 0.1150760 1.0000000 P 3 1 648.1887000 0.1541140 2 140.3064000 0.6194620 3 45.6988000 0.3837580 P 3 1 56.6946900 -0.1523220 2 27.4887500 0.5437690 3 8.2090960 0.6561680 P 3 1 8.1916790 0.0118700 2 3.2445960 0.5265250 3 1.3004890 0.5266080 P 2 1 1.4513800 0.0275410 2 0.3281030 0.9851370 P 1 1 0.1150760 1.0000000 D 3 1 128.0902600 0.1158640 2 35.9823780 0.4820490 3 11.5511160 0.5894450 D 3 1 6.1461520 0.2681820 2 2.2209370 0.5800610 3 0.8099120 0.3262260 D 1 1 0.4000000 1.0000000'); INSERT INTO "data_tab" VALUES(130,'H','HYDROGEN S 3 1 4.5018000 0.0704520 2 0.6814440 0.4078260 3 0.1513980 0.6477520'); INSERT INTO "data_tab" VALUES(130,'He','HELIUM S 3 1 13.6267360 0.0802410 2 1.9993490 0.4091430 3 0.3829930 0.6572780'); INSERT INTO "data_tab" VALUES(130,'Li','LITHIUM S 3 1 35.0461500 0.0737600 2 5.2016900 0.3974710 3 1.0562400 0.6650920 S 3 1 0.7151700 -0.0939700 2 0.0705300 0.5701000 3 0.0273500 0.4997500'); INSERT INTO "data_tab" VALUES(130,'Be','BERYLLIUM S 3 1 66.9535400 0.0702000 2 9.9392900 0.3919100 3 2.0571300 0.6699700 S 3 1 1.9122100 -0.0828200 2 0.1613200 0.5575530 3 0.0552400 0.5160430'); INSERT INTO "data_tab" VALUES(130,'B','BORON S 3 1 108.4370400 0.0686510 2 16.1205600 0.3899330 3 3.3734300 0.6713950 S 3 1 3.5665000 -0.0824190 2 0.2954700 0.5590640 3 0.0980500 0.5167950 P 3 1 2.5720720 0.1059000 2 0.5169400 0.4571800 3 0.1231400 0.6318610'); INSERT INTO "data_tab" VALUES(130,'C','CARBON S 3 1 153.1722600 0.0707400 2 23.0730300 0.3953800 3 4.9232900 0.6633110 S 3 1 5.7255700 -0.0813800 2 0.4550400 0.5748530 3 0.1470700 0.5024130 P 3 1 4.2513100 0.1099310 2 0.8632700 0.4627130 3 0.2013500 0.6275140'); INSERT INTO "data_tab" VALUES(130,'N','NITROGEN S 3 1 218.3644900 0.0678700 2 32.5988900 0.3902020 3 6.9173900 0.6700830 S 3 1 8.3263800 -0.0808900 2 0.6591900 0.5672020 3 0.2100900 0.5110920 P 3 1 6.1203500 0.1159190 2 1.2593800 0.4699580 3 0.2914500 0.6184480'); INSERT INTO "data_tab" VALUES(130,'O','OXYGEN S 3 1 281.8665800 0.0690600 2 42.4160000 0.3931590 3 9.0956200 0.6656690 S 3 1 11.4660300 -0.0808200 2 0.8878600 0.5820900 3 0.2788000 0.4971600 P 3 1 8.0472400 0.1242710 2 1.6684200 0.4765940 3 0.3725100 0.6130440'); INSERT INTO "data_tab" VALUES(130,'F','FLUORINE S 3 1 368.3711200 0.0670400 2 55.0610600 0.3892490 3 11.7476700 0.6707880 S 3 1 15.1518400 -0.0805500 2 1.1513700 0.5877290 3 0.3581100 0.4919790 P 3 1 10.5770700 0.1262700 2 2.1949800 0.4779480 3 0.4793700 0.6140080'); INSERT INTO "data_tab" VALUES(130,'Ne','NEON S 3 1 456.9528500 0.0669100 2 68.3654300 0.3893490 3 14.6197600 0.6705180 S 3 1 19.3271900 -0.0802500 2 1.4418200 0.5952980 3 0.4440800 0.4848680 P 3 1 13.3525200 0.1288400 2 2.7794700 0.4804410 3 0.6009700 0.6116720'); INSERT INTO "data_tab" VALUES(130,'Na','SODIUM S 3 1 542.7605300 0.0684100 2 81.9594700 0.3920920 3 17.7237700 0.6660840 S 3 1 23.2804200 -0.0838010 2 1.8683400 0.5827940 3 0.6232500 0.4924740 S 3 1 0.5067300 -0.1157620 2 0.0535100 0.6958630 3 0.0208000 0.3810470 P 3 1 17.8363600 0.1257100 2 3.7956900 0.4804610 3 0.8775100 0.6022810'); INSERT INTO "data_tab" VALUES(130,'Mg','MAGNESIUM S 3 1 650.6433670 0.0680300 2 98.3707800 0.3907380 3 21.3224900 0.6672670 S 3 1 27.9773800 -0.0867200 2 2.3265200 0.5856970 3 0.8180800 0.4864970 S 3 1 0.9113400 -0.1276510 2 0.0994000 0.6507730 3 0.0362300 0.4362720 P 3 1 23.2166200 0.1214600 2 5.0022200 0.4792910 3 1.2046500 0.5989420'); INSERT INTO "data_tab" VALUES(130,'Al','ALUMINUM S 3 1 777.4433400 0.0668870 2 117.2315300 0.3877680 3 25.3762970 0.6707030 S 3 1 33.3562530 -0.0889560 2 2.8013150 0.6010610 3 1.0227330 0.4687860 S 3 1 1.3291880 -0.1513890 2 0.1616630 0.6593860 3 0.0589890 0.4386930 P 3 1 30.5695800 0.1123530 2 6.6447010 0.4674670 3 1.6543950 0.6097820 P 3 1 0.0446520 0.3964700 2 0.2996510 0.2264330 3 0.1158480 0.5005860'); INSERT INTO "data_tab" VALUES(130,'Si','SILICON S 3 1 909.2348700 0.0664050 2 137.1245600 0.3862220 3 29.7148100 0.6722400 S 3 1 39.1294230 -0.0909990 2 3.3359810 0.6116150 3 1.2512590 0.4568600 S 3 1 1.8031010 -0.1687330 2 0.2263890 0.6754530 3 0.0823950 0.4294190 P 3 1 37.8817610 0.1087530 2 8.3045980 0.4635150 3 2.1207920 0.6113340 P 3 1 0.4478020 0.2389130 2 0.0623620 0.3454530 3 0.1708380 0.5422950'); INSERT INTO "data_tab" VALUES(130,'P','PHOSPHORUS S 3 1 1053.2658000 0.0658650 2 158.7904400 0.3845780 3 34.4244070 0.6739630 S 3 1 45.4503770 -0.0926550 2 3.8999260 0.6265130 3 1.4885070 0.4410390 S 3 1 2.3008410 -0.1805490 2 0.2989590 0.6809520 3 0.1088540 0.4291420 P 3 1 46.1000190 0.1053880 2 10.1650570 0.4597120 3 2.6447940 0.6137140 P 3 1 0.6326860 0.2358850 2 0.2402190 0.5541600 3 0.0864470 0.3365300'); INSERT INTO "data_tab" VALUES(130,'S','SULFUR S 3 1 1201.4584000 0.0657650 2 181.3921200 0.3839480 3 39.4047950 0.6743720 S 3 1 52.1390300 -0.0942320 2 4.5287990 0.6354680 3 1.7549380 0.4315060 S 3 1 2.8404370 0.1900420 2 0.3814330 -0.6855270 3 0.1387860 -0.4292720 P 3 1 54.6440710 0.1036730 2 12.1229020 0.4581900 3 3.2065040 0.6134000 P 3 1 0.8632740 0.2294360 2 0.1086790 0.3537000 3 0.3181300 0.5529600'); INSERT INTO "data_tab" VALUES(130,'Cl','CHLORINE S 3 1 1362.0220000 0.0655440 2 205.8111000 0.3829187 3 44.7721670 0.6752100 S 3 1 59.2257320 -0.0956200 2 5.2139020 0.6414260 3 2.0473460 0.4251530 S 3 1 3.4197120 0.1964010 2 0.4700170 -0.6923600 3 0.1699580 -0.4261930 P 3 1 64.0999580 0.1017890 2 14.2871390 0.4561070 3 3.8281350 0.6142820 P 3 1 1.0951260 0.2359030 2 0.1321760 0.3466000 3 0.3960040 0.5580660'); INSERT INTO "data_tab" VALUES(130,'Ar','ARGON S 3 1 1536.9325000 0.0651590 2 232.1776500 0.3818070 3 50.5216850 0.6764460 S 3 1 66.9339490 -0.0967400 2 5.9185520 0.6527490 3 2.3393420 0.4135730 S 3 1 4.0453070 0.2007360 2 0.5657010 -0.6962680 3 0.2040650 -0.4248430 P 3 1 74.3529150 0.1000790 2 16.6313460 0.4542260 3 4.5039270 0.6152590 P 3 1 1.3570910 0.2372760 2 0.4881130 0.5583600 3 0.1621260 0.3461650'); INSERT INTO "data_tab" VALUES(130,'K','POTASSIUM S 3 1 1721.1755000 0.0648750 2 260.0163300 0.3808590 3 56.6245540 0.6773680 S 3 1 75.0556000 -0.0978730 2 6.6911630 0.6595600 3 2.6671660 0.4065290 S 3 1 4.6689370 -0.2129300 2 0.7000130 0.6892490 3 0.2753340 0.4339250 S 3 1 0.2523120 -0.1529800 2 0.0376310 0.6817280 3 0.0162180 0.4144830 P 3 1 85.7898460 0.0980350 2 19.2547940 0.4510410 3 5.2686240 0.6177080 P 3 1 1.6831450 0.2386360 2 0.6258090 0.5710570 3 0.2238980 0.3165360'); INSERT INTO "data_tab" VALUES(130,'Ca','CALCIUM S 3 1 1915.4348000 0.0646240 2 289.5332400 0.3798380 3 63.1063520 0.6783290 S 3 1 83.6332800 -0.0988820 2 7.5118400 0.6660270 3 3.0145850 0.3999120 S 3 1 5.3707540 -0.2235310 2 0.8383800 0.7028860 3 0.3462260 0.4235520 S 3 1 0.4297410 -0.1793100 2 0.0621730 0.6728790 3 0.0249480 0.4356660 P 3 1 97.9745920 0.0963160 2 22.0673840 0.4481080 3 6.0938760 0.6199210 P 3 1 2.0178860 0.2450290 2 0.7666510 0.5843850 3 0.2843190 0.2876660'); INSERT INTO "data_tab" VALUES(131,'H','HYDROGEN S 3 1 7.0340630 0.0704520 2 1.0647560 0.4078260 3 0.2365590 0.6477520'); INSERT INTO "data_tab" VALUES(131,'He','HELIUM S 3 1 13.6267360 0.0802410 2 1.9993490 0.4091430 3 0.3829930 0.6572780'); INSERT INTO "data_tab" VALUES(131,'Li','LITHIUM S 3 1 35.0461500 0.0737600 2 5.2016900 0.3974710 3 1.0562400 0.6650920 S 3 1 0.8512530 -0.0939700 2 0.0839510 0.5701000 3 0.0325540 0.4997500'); INSERT INTO "data_tab" VALUES(131,'Be','BERYLLIUM S 3 1 66.9535400 0.0702000 2 9.9392900 0.3919100 3 2.0571300 0.6699700 S 3 1 2.3348560 -0.0828200 2 0.1969760 0.5575530 3 0.0674490 0.5160430'); INSERT INTO "data_tab" VALUES(131,'B','BORON S 3 1 108.4370400 0.0686510 2 16.1205600 0.3899330 3 3.3734300 0.6713950 S 3 1 4.4578540 -0.0824190 2 0.3693150 0.5590640 3 0.1225550 0.5167950 P 3 1 3.2148920 0.1059000 2 0.6461360 0.4571800 3 0.1539160 0.6318610'); INSERT INTO "data_tab" VALUES(131,'C','CARBON S 3 1 153.1722600 0.0707400 2 23.0730300 0.3953800 3 4.9232900 0.6633110 S 3 1 6.6166120 -0.0813800 2 0.5258560 0.5748530 3 0.1699580 0.5024130 P 3 1 4.9129200 0.1099310 2 0.9976160 0.4627130 3 0.2326850 0.6275140'); INSERT INTO "data_tab" VALUES(131,'N','NITROGEN S 3 1 218.3644900 0.0678700 2 32.5988900 0.3902020 3 6.9173900 0.6700830 S 3 1 8.9194260 -0.0808900 2 0.7061410 0.5672020 3 0.2250540 0.5110920 P 3 1 6.5562720 0.1159190 2 1.3490790 0.4699580 3 0.3122090 0.6184480'); INSERT INTO "data_tab" VALUES(131,'O','OXYGEN S 3 1 281.8665800 0.0690600 2 42.4160000 0.3931590 3 9.0956200 0.6656690 S 3 1 11.7893260 -0.0808200 2 0.9128940 0.5820900 3 0.2866610 0.4971600 P 3 1 8.2741400 0.1242710 2 1.7154630 0.4765940 3 0.3830130 0.6130440'); INSERT INTO "data_tab" VALUES(131,'F','FLUORINE S 3 1 368.3711200 0.0670400 2 55.0610600 0.3892490 3 11.7476700 0.6707880 S 3 1 15.3647080 -0.0805500 2 1.1675460 0.5877290 3 0.3631410 0.4919790 P 3 1 10.7256670 0.1262700 2 2.2258170 0.4779480 3 0.4861050 0.6140080'); INSERT INTO "data_tab" VALUES(131,'Ne','NEON S 3 1 456.9528500 0.0669100 2 68.3654300 0.3893490 3 14.6197600 0.6705180 S 3 1 19.3271900 -0.0802500 2 1.4418200 0.5952980 3 0.4440800 0.4848680 P 3 1 13.3525200 0.1288400 2 2.7794700 0.4804410 3 0.6009700 0.6116720'); INSERT INTO "data_tab" VALUES(131,'Na','SODIUM S 3 1 542.7605300 0.0684100 2 81.9594700 0.3920920 3 17.7237700 0.6660840 S 3 1 23.2804200 -0.0838010 2 1.8683400 0.5827940 3 0.6232500 0.4924740 S 3 1 0.6176110 -0.1157620 2 0.0652190 0.6958630 3 0.0253510 0.3810470 P 3 1 17.8363600 0.1257100 2 3.7956900 0.4804610 3 0.8775100 0.6022810'); INSERT INTO "data_tab" VALUES(131,'Mg','MAGNESIUM S 3 1 650.6433670 0.0680300 2 98.3707800 0.3907380 3 21.3224900 0.6672670 S 3 1 27.9773800 -0.0867200 2 2.3265200 0.5856970 3 0.8180800 0.4864970 S 3 1 1.0847510 -0.1276510 2 0.1183140 0.6507730 3 0.0431240 0.4362720 P 3 1 23.2166200 0.1214600 2 5.0022200 0.4792910 3 1.2046500 0.5989420'); INSERT INTO "data_tab" VALUES(131,'Al','ALUMINUM S 3 1 777.4433400 0.0668870 2 117.2315300 0.3877680 3 25.3762970 0.6707030 S 3 1 33.3562530 -0.0889560 2 2.8013150 0.6010610 3 1.0227330 0.4687860 S 3 1 1.6852460 -0.1513890 2 0.2049690 0.6593860 3 0.0747900 0.4386930 P 3 1 30.5695800 0.1123530 2 6.6447010 0.4674670 3 1.6543950 0.6097820 P 3 1 0.0566130 0.3964700 2 0.3799200 0.2264330 3 0.1468810 0.5005860'); INSERT INTO "data_tab" VALUES(131,'Si','SILICON S 3 1 909.2348700 0.0664050 2 137.1245600 0.3862220 3 29.7148100 0.6722400 S 3 1 39.1294230 -0.0909990 2 3.3359810 0.6116150 3 1.2512590 0.4568600 S 3 1 2.1976490 -0.1687330 2 0.2759270 0.6754530 3 0.1004250 0.4294190 P 3 1 37.8817610 0.1087530 2 8.3045980 0.4635150 3 2.1207920 0.6113340 P 3 1 0.5457890 0.2389130 2 0.0760070 0.3454530 3 0.2082200 0.5422950'); INSERT INTO "data_tab" VALUES(131,'P','PHOSPHORUS S 3 1 1053.2658000 0.0658650 2 158.7904400 0.3845780 3 34.4244070 0.6739630 S 3 1 45.4503770 -0.0926550 2 3.8999260 0.6265130 3 1.4885070 0.4410390 S 3 1 2.4694830 -0.1805490 2 0.3208720 0.6809520 3 0.1168320 0.4291420 P 3 1 46.1000190 0.1053880 2 10.1650570 0.4597120 3 2.6447940 0.6137140 P 3 1 0.6790590 0.2358850 2 0.2578260 0.5541600 3 0.0927830 0.3365300'); INSERT INTO "data_tab" VALUES(131,'S','SULFUR S 3 1 1201.4584000 0.0657650 2 181.3921200 0.3839480 3 39.4047950 0.6743720 S 3 1 52.1390300 -0.0942320 2 4.5287990 0.6354680 3 1.7549380 0.4315060 S 3 1 2.9205260 0.1900420 2 0.3921870 -0.6855270 3 0.1426990 -0.4292720 P 3 1 54.6440710 0.1036730 2 12.1229020 0.4581900 3 3.2065040 0.6134000 P 3 1 0.8876150 0.2294360 2 0.1117430 0.3537000 3 0.3271000 0.5529600'); INSERT INTO "data_tab" VALUES(131,'Cl','CHLORINE S 3 1 1362.0220000 0.0655440 2 205.8111000 0.3829870 3 44.7721670 0.6752100 S 3 1 59.2257320 -0.0956200 2 5.2139020 0.6414260 3 2.0473460 0.4251530 S 3 1 3.4471240 0.1964010 2 0.4737850 -0.6923600 3 0.1713210 -0.4261930 P 3 1 64.0999580 0.1017890 2 14.2871390 0.4561070 3 3.8281350 0.6142820 P 3 1 1.1039040 0.2359030 2 0.1332360 0.3466000 3 0.3991780 0.5580660'); INSERT INTO "data_tab" VALUES(131,'Ar','ARGON S 3 1 1536.9325000 0.0651590 2 232.1776500 0.3818070 3 50.5216850 0.6764460 S 3 1 66.9339490 -0.0967400 2 5.9185520 0.6527490 3 2.3393420 0.4135730 S 3 1 4.0453070 0.2007360 2 0.5657010 -0.6962680 3 0.2040650 -0.4248430 P 3 1 74.3529150 0.1000790 2 16.6313460 0.4542260 3 4.5039270 0.6152590 P 3 1 1.3570910 0.2372760 2 0.4881130 0.5583600 3 0.1621260 0.3461650'); INSERT INTO "data_tab" VALUES(131,'K','POTASSIUM S 3 1 1721.1755000 0.0648750 2 260.0163300 0.3808590 3 56.6245540 0.6773680 S 3 1 75.0556000 -0.0978730 2 6.6911630 0.6595600 3 2.6671660 0.4065290 S 3 1 4.6689370 -0.2129300 2 0.7000130 0.6892490 3 0.2753340 0.4339250 S 3 1 0.3227470 -0.1529800 2 0.0481360 0.6817280 3 0.0207460 0.4144830 P 3 1 85.7898460 0.0980350 2 19.2547940 0.4510410 3 5.2686240 0.6177080 P 3 1 1.6831450 0.2386360 2 0.6258090 0.5710570 3 0.2238980 0.3165360'); INSERT INTO "data_tab" VALUES(131,'Ca','CALCIUM S 3 1 1915.4348000 0.0646240 2 289.5332400 0.3798380 3 63.1063520 0.6783290 S 3 1 83.6332800 -0.0988820 2 7.5118400 0.6660270 3 3.0145850 0.3999120 S 3 1 5.3707540 -0.2235310 2 0.8383800 0.7028860 3 0.3462260 0.4235520 S 3 1 0.5068340 -0.1793100 2 0.0733270 0.6728790 3 0.0294240 0.4356660 P 3 1 97.9745920 0.0963160 2 22.0673840 0.4481080 3 6.0938760 0.6199210 P 3 1 2.0178860 0.2450290 2 0.7666510 0.5843850 3 0.2843190 0.2876660'); INSERT INTO "data_tab" VALUES(132,'Na','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'); INSERT INTO "data_tab" VALUES(132,'Mg','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'); INSERT INTO "data_tab" VALUES(132,'Al','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'); INSERT INTO "data_tab" VALUES(132,'Si','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'); INSERT INTO "data_tab" VALUES(132,'P','PHOSPHORUS S 6 1 77492.4000000 0.0007810 2 11605.8000000 0.0060680 3 2645.9600000 0.0311600 4 754.9800000 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'); INSERT INTO "data_tab" VALUES(132,'S','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'); INSERT INTO "data_tab" VALUES(132,'Cl','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 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-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'); INSERT INTO "data_tab" VALUES(162,'H','HYDROGEN S 2 1 5.4471780 0.1562850 2 0.8245470 0.9046910 S 1 1 0.1831920 1.0000000'); INSERT INTO "data_tab" VALUES(162,'He','HELIUM S 2 1 13.6267000 0.1752300 2 1.9993500 0.8934830 S 1 1 0.3829930 1.0000000'); INSERT INTO "data_tab" VALUES(162,'Li','LITHIUM L 3 1 0.6177000 -0.1628700 0.0620500 2 0.1434000 0.1264300 0.2471900 3 0.0504800 0.7617900 0.5214000 L 1 1 0.0192300 0.2180000 0.3429000'); INSERT INTO "data_tab" VALUES(162,'Be','BERYLLIUM L 3 1 1.4470000 -0.1564700 0.0892400 2 0.3522000 0.1091900 0.3099900 3 0.1219000 0.6753800 0.5184200 L 1 1 0.0439500 0.3298700 0.2791100'); INSERT INTO "data_tab" VALUES(162,'B','BORON L 3 1 2.7100000 -0.1498700 0.0947400 2 0.6552000 0.0844200 0.3080700 3 0.2248000 0.6975100 0.4687600 L 1 1 0.0758400 0.3284200 0.3502500'); INSERT INTO "data_tab" VALUES(162,'C','CARBON L 3 1 4.2860000 -0.1472200 0.1025700 2 1.0460000 0.0812500 0.3298700 3 0.3447000 0.7136000 0.4821200 L 1 1 0.1128000 0.3152100 0.3159300'); INSERT INTO "data_tab" VALUES(162,'N','NITROGEN L 3 1 6.4030000 -0.1395500 0.1033600 2 1.5800000 0.0549200 0.3320500 3 0.5094000 0.7167800 0.4870800 L 1 1 0.1623000 0.3321000 0.3131200'); INSERT INTO "data_tab" VALUES(162,'O','OXYGEN L 3 1 8.5190000 -0.1455100 0.1100700 2 2.0730000 0.0828600 0.3496900 3 0.6471000 0.7432500 0.4809300 L 1 1 0.2000000 0.2847200 0.3072700'); INSERT INTO "data_tab" VALUES(162,'F','FLUORINE L 3 1 11.1200000 -0.1445100 0.1130000 2 2.6870000 0.0897100 0.3584100 3 0.8210000 0.7565900 0.4800200 L 1 1 0.2475000 0.2657000 0.3038100'); INSERT INTO "data_tab" VALUES(162,'Ne','NEON L 3 1 14.0700000 -0.1446300 0.1151400 2 3.3890000 0.0933100 0.3647900 3 1.0210000 0.7629700 0.4805200 L 1 1 0.3031000 0.2566100 0.2989600'); INSERT INTO "data_tab" VALUES(162,'Na','SODIUM L 3 1 0.4299000 -0.2087400 -0.0257100 2 0.0889700 0.3120600 0.2160800 3 0.0355000 0.7030000 0.5419600 L 1 1 0.0145500 0.1164800 0.3548400'); INSERT INTO "data_tab" VALUES(162,'Mg','MAGNESIUM L 3 1 0.6606000 -0.2445100 -0.0442100 2 0.1845000 0.2532300 0.2732300 3 0.0698300 0.6972000 0.5762600 L 1 1 0.0274000 0.2165500 0.2815200'); INSERT INTO "data_tab" VALUES(162,'Al','ALUMINUM L 3 1 0.9011000 -0.3037700 -0.0792900 2 0.4495000 0.1338200 0.1654000 3 0.1405000 0.7603700 0.5301500 L 1 1 0.0487400 0.3223200 0.4772400'); INSERT INTO "data_tab" VALUES(162,'Si','SILICON L 3 1 1.1670000 -0.3240300 -0.0845000 2 0.5268000 0.1843800 0.2378600 3 0.1807000 0.7773700 0.5653200 L 1 1 0.0648000 0.2676700 0.3743300'); INSERT INTO "data_tab" VALUES(162,'P','PHOSPHORUS L 3 1 1.4590000 -0.3409100 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0.9602160 0.8281290 L 1 1 0.0216700 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(162,'Sc','SCANDIUM L 4 1 40.0700000 -0.0032960 -0.0077530 2 3.6650000 -0.6556170 -0.6155920 3 3.0470000 0.1032530 0.7802610 4 0.9588000 1.3201990 0.8340790 L 2 1 1.2640000 -0.0575960 -0.0317790 2 0.0750200 1.0164680 1.0040650 L 1 1 0.0274100 1.0000000 1.0000000 L 1 1 0.3557000 1.0000000 1.0000000 D 4 1 23.2400000 0.0262880 2 6.1430000 0.1428810 3 2.0070000 0.3981780 4 0.6652000 0.6402010 D 1 1 0.2021000 1.0000000 D 1 1 0.0545400 1.0000000'); INSERT INTO "data_tab" VALUES(162,'Ti','TITANIUM L 4 1 51.0800000 -0.0020040 -0.0069490 2 4.1800000 -0.6196860 -0.3266130 3 2.9970000 0.1560290 0.5442540 4 1.0190000 1.2488170 0.7896310 L 2 1 1.3830000 -0.0728910 -0.0259490 2 0.0812800 1.0201840 1.0033530 L 1 1 0.0302300 1.0000000 1.0000000 L 1 1 0.3745000 1.0000000 1.0000000 D 4 1 28.1100000 0.0257460 2 7.6300000 0.1412600 3 2.5280000 0.4006070 4 0.8543000 0.6345320 D 1 1 0.2673000 1.0000000 D 1 1 0.0743000 1.0000000'); INSERT INTO "data_tab" VALUES(162,'V','VANADIUM L 4 1 48.1600000 -0.0042770 -0.0080070 2 4.6850000 -0.5455540 -0.2656730 3 3.1150000 0.1317990 0.5229440 4 1.0980000 1.2180220 0.7544340 L 2 1 1.5650000 -0.0854260 -0.0228160 2 0.0940900 1.0235840 1.0030660 L 1 1 0.0337000 1.0000000 1.0000000 L 1 1 0.3936000 1.0000000 1.0000000 D 4 1 33.3600000 0.0255300 2 9.3310000 0.1403360 3 3.1580000 0.3979330 4 1.1130000 0.6290270 D 1 1 0.3608000 1.0000000 D 1 1 0.1007000 1.0000000'); INSERT INTO "data_tab" VALUES(162,'Cr','CHROMIUM L 4 1 23.1200000 -0.0059180 -0.0180180 2 5.0360000 -0.5907500 -0.1449960 3 2.8670000 0.2961200 0.4974160 4 1.1440000 1.1076460 0.6728840 L 2 1 1.5710000 -0.0903290 -0.0372810 2 0.0965400 1.0251640 1.0048790 L 1 1 0.0349200 1.0000000 1.0000000 L 1 1 0.4529000 1.0000000 1.0000000 D 4 1 37.8900000 0.0259100 2 10.5800000 0.1441300 3 3.6030000 0.4035970 4 1.2700000 0.6208460 D 1 1 0.4118000 1.0000000 D 1 1 0.1126000 1.0000000'); INSERT INTO "data_tab" VALUES(162,'Mn','MANGANESE L 4 1 72.1700000 -0.0026350 -0.0071720 2 5.7280000 -0.5931840 -0.2456490 3 3.7290000 0.2246560 0.5322830 4 1.3210000 1.1753420 0.7305360 L 2 1 1.8270000 -0.0961460 -0.0326000 2 0.1130000 1.0266680 1.0043760 L 1 1 0.0389000 1.0000000 1.0000000 L 1 1 0.4754000 1.0000000 1.0000000 D 4 1 42.6300000 0.0260950 2 11.9700000 0.1467720 3 4.0910000 0.4071150 4 1.4500000 0.6145900 D 1 1 0.4700000 1.0000000 D 1 1 0.1281000 1.0000000'); INSERT INTO "data_tab" VALUES(162,'Fe','IRON L 4 1 70.2800000 -0.0026110 -0.0079400 2 6.0610000 -0.6924350 -0.2901510 3 4.1340000 0.3625300 0.5910280 4 1.4210000 1.1406450 0.7194480 L 2 1 1.9780000 -0.0981720 -0.0337310 2 0.1213000 1.0269570 1.0044620 L 1 1 0.0410000 1.0000000 1.0000000 L 1 1 0.5121000 1.0000000 1.0000000 D 4 1 47.1000000 0.0266080 2 13.1200000 0.1520100 3 4.4780000 0.4138270 4 1.5810000 0.6055420 D 1 1 0.5100000 1.0000000 D 1 1 0.1382000 1.0000000'); INSERT INTO "data_tab" VALUES(162,'Co','COBALT L 4 1 75.6800000 -0.0052710 -0.0080850 2 6.4960000 -0.7055250 -0.3909880 3 4.7910000 0.3478800 0.6800780 4 1.5940000 1.1755950 0.7295940 L 2 1 2.3370000 -0.0892670 -0.0159350 2 0.1269000 1.0225890 1.0019450 L 1 1 0.0423200 1.0000000 1.0000000 L 1 1 0.5572000 1.0000000 1.0000000 D 4 1 51.6900000 0.0254470 2 14.7000000 0.1495290 3 4.8510000 0.4250560 4 1.6430000 0.6054650 D 1 1 0.5075000 1.0000000 D 1 1 0.1433000 1.0000000'); INSERT INTO "data_tab" VALUES(162,'Ni','NICKEL L 4 1 89.3600000 -0.0052200 -0.0075290 2 7.2650000 -0.6839930 -0.4458620 3 5.5720000 0.2510500 0.7063640 4 1.8500000 1.2364510 0.7536060 L 2 1 3.2350000 -0.0634180 0.0011360 2 0.1295000 1.0132370 0.9998950 L 1 1 0.0432700 1.0000000 1.0000000 L 1 1 0.6594000 1.0000000 1.0000000 D 4 1 58.7300000 0.0262460 2 16.7100000 0.1503340 3 5.7830000 0.4133850 4 2.0640000 0.6041140 D 1 1 0.6752000 1.0000000 D 1 1 0.1825000 1.0000000'); INSERT INTO "data_tab" VALUES(162,'Cu','COPPER L 4 1 83.4200000 -0.0048290 -0.0082840 2 7.9700000 -0.6447990 -0.3218950 3 5.6000000 0.2652400 0.6181330 4 1.9320000 1.1897910 0.7221840 L 2 1 2.8660000 -0.0747740 -0.0005410 2 0.1319000 1.0170370 1.0000580 L 1 1 0.0440000 1.0000000 1.0000000 L 1 1 0.6874000 1.0000000 1.0000000 D 4 1 65.8000000 0.0255970 2 18.8200000 0.1486090 3 6.5380000 0.4117860 4 2.3480000 0.6055070 D 1 1 0.7691000 1.0000000 D 1 1 0.2065000 1.0000000'); INSERT INTO "data_tab" VALUES(162,'Zn','ZINC L 4 1 113.5000000 -0.0042800 -0.0074290 2 8.3080000 -0.8202320 -0.4326050 3 6.3320000 0.4250060 0.7234510 4 2.1460000 1.1980770 0.7272170 L 2 1 2.9060000 -0.0823560 -0.0230010 2 0.1623000 1.0215740 1.0028240 L 1 1 0.0536900 1.0000000 1.0000000 L 1 1 0.8116000 1.0000000 1.0000000 D 4 1 65.9900000 0.0276530 2 19.8100000 0.1587940 3 6.9450000 0.4209710 4 2.5430000 0.5852770 D 1 1 0.9165000 1.0000000 D 1 1 0.3264000 1.0000000'); INSERT INTO "data_tab" VALUES(162,'Ga','GALLIUM L 4 1 113.9000000 -0.0017110 -0.0080460 2 9.1550000 -0.8230360 -0.3574320 3 6.6330000 0.4586180 0.6637940 4 2.2780000 1.1618170 0.7136190 L 1 1 0.0746100 1.0000000 1.0000000 L 2 1 2.1230000 -0.1455060 -0.0962610 2 0.1939000 1.0511470 1.0175730 L 1 1 0.8818000 1.0000000 1.0000000 D 4 1 70.4300000 0.0288770 2 21.0500000 0.1662530 3 7.4010000 0.4277760 4 2.7520000 0.5704100 D 1 1 1.0260000 1.0000000 D 1 1 0.3907000 1.0000000'); INSERT INTO "data_tab" VALUES(162,'Ge','GERMANIUM L 4 1 1.8340000 0.4938600 0.0064140 2 1.5290000 -0.8573540 -0.0860520 3 0.3594000 0.4108300 0.3832320 4 0.1470000 0.8003780 0.6981850 L 1 1 0.0559800 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(162,'As','ARSENIC L 4 1 2.7090000 0.1214790 -0.0029200 2 1.5780000 -0.5189180 -0.0950540 3 0.4358000 0.4287910 0.4246820 4 0.1776000 0.8080780 0.6712900 L 1 1 0.0698400 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(162,'Se','SELENIUM L 4 1 3.7110000 0.0557440 -0.0060140 2 1.5860000 -0.5105200 -0.1214470 3 0.5339000 0.4807550 0.4526070 4 0.2085000 0.8102920 0.6697510 L 1 1 0.0782100 1.0000000 1.0000000'); INSERT INTO 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1 1.3240000 -0.0579760 -0.0258910 2 0.0680600 1.0148740 1.0028330 L 1 1 0.0272900 1.0000000 1.0000000 L 1 1 0.3015000 1.0000000 1.0000000 D 3 1 5.3990000 0.0120200 2 1.0660000 0.3429500 3 0.3892000 0.7393970 D 1 1 0.1300000 1.0000000 D 1 1 0.0412100 1.0000000'); INSERT INTO "data_tab" VALUES(162,'Zr','ZIRCONIUM L 4 1 30.5300000 -0.0045040 -0.0040920 2 3.5180000 1.7088990 -0.0786650 3 2.9710000 -2.9185180 -0.1405880 4 0.9587000 1.8229580 1.1305260 L 2 1 0.9293000 -0.0619580 -0.0602170 2 0.0691000 1.0207390 1.0093020 L 1 1 0.0275900 1.0000000 1.0000000 L 1 1 0.3764000 1.0000000 1.0000000 D 3 1 6.1910000 0.0120000 2 1.3200000 0.3250050 3 0.5359000 0.7402990 D 1 1 0.1900000 1.0000000 D 1 1 0.0590000 1.0000000'); INSERT INTO "data_tab" VALUES(162,'Nb','NIOBIUM L 4 1 38.5300000 -0.0020590 -0.0035760 2 3.9070000 1.6188670 -0.0332170 3 3.2740000 -2.8308600 -0.1855680 4 1.0520000 1.8184650 1.1334710 L 2 1 1.0570000 -0.0719190 -0.0678150 2 0.0787600 1.0237970 1.0102540 L 1 1 0.0309100 1.0000000 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6.7140000 2.2928770 0.1896300 3 5.6020000 -3.9028840 -0.4918720 4 1.9710000 2.0846040 1.2135010 L 2 1 2.6960000 -0.0648660 -0.0533380 2 0.1758000 1.0196610 1.0071020 L 1 1 0.0564700 1.0000000 1.0000000 L 1 1 0.7689000 1.0000000 1.0000000 D 3 1 15.5100000 0.0120650 2 2.9410000 0.3701680 3 1.3790000 0.6807600 D 1 1 0.5782000 1.0000000 D 1 1 0.2300000 1.0000000'); INSERT INTO "data_tab" VALUES(162,'In','INDIUM L 4 1 71.7600000 0.0007330 -0.0045130 2 7.6540000 1.0897810 0.0316150 3 5.6160000 -2.7310890 -0.3380060 4 2.1040000 2.1128440 1.2134640 L 1 1 0.0826700 1.0000000 1.0000000 L 2 1 2.6100000 -0.0996900 -0.1103170 2 0.1901000 1.0312300 1.0139000 L 1 1 0.8410000 1.0000000 1.0000000 D 3 1 17.1600000 0.0148930 2 3.1270000 0.3881350 3 1.4750000 0.6626390 D 1 1 0.6452000 1.0000000 D 1 1 0.2754000 1.0000000'); INSERT INTO "data_tab" VALUES(162,'Sn','TIN L 4 1 2.6040000 0.0310420 -0.0050530 2 0.7532000 -0.6118590 -0.1801000 3 0.3191000 0.5481630 0.3700680 4 0.1239000 0.8491500 0.7813340 L 1 1 0.0479800 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(162,'Sb','ANTIMONY L 4 1 0.9922000 0.6900760 0.1802290 2 0.8089000 -1.5804950 -0.4870930 3 0.4312000 0.8152480 0.4739360 4 0.1498000 0.8949940 0.8044140 L 1 1 0.0580300 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(162,'Te','TELLURIUM L 4 1 2.3640000 0.0871790 -0.0039820 2 0.9769000 -0.7768260 -0.2369000 3 0.4647000 0.5632500 0.4014670 4 0.1771000 0.9260530 0.7931790 L 1 1 0.0673700 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(162,'I','IODINE L 4 1 2.6250000 0.0736600 -0.0088800 2 1.0140000 -0.8368700 -0.2573510 3 0.5009000 0.6562470 0.4553680 4 0.2023000 0.9007440 0.7601070 L 1 1 0.0780000 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(162,'Xe','XENON L 4 1 1.7390000 0.3490910 -0.0054290 2 1.1690000 -1.1975120 -0.2773420 3 0.5765000 0.7584090 0.4671890 4 0.2218000 0.8886990 0.7634560 L 1 1 0.0848600 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(162,'Cs','CESIUM L 3 1 0.1157000 -0.5199940 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VALUES(162,'Os','OSMIUM L 4 1 5.0190000 1.7267290 0.2839560 2 4.4440000 -2.3641850 -0.4621630 3 1.2300000 1.0704060 0.7632510 4 0.4501000 0.3919560 0.4039440 L 1 1 0.1104000 1.0000000 1.0000000 L 1 1 0.0410100 1.0000000 1.0000000 L 1 1 1.0020000 1.0000000 1.0000000 D 3 1 3.8290000 -0.0281630 2 1.3390000 0.4576330 3 0.5165000 0.6425510 D 1 1 0.1880000 1.0000000 D 1 1 0.0655200 1.0000000'); INSERT INTO "data_tab" VALUES(162,'Ir','IRIDIUM L 4 1 5.5220000 1.0528490 0.1439880 2 4.5790000 -1.6970010 -0.3255630 3 1.2890000 1.0876090 0.7764420 4 0.4734000 0.3772300 0.3893280 L 1 1 0.1159000 1.0000000 1.0000000 L 1 1 0.0427600 1.0000000 1.0000000 L 1 1 1.1160000 1.0000000 1.0000000 D 3 1 4.3930000 -0.0253910 2 1.4030000 0.4757180 3 0.5593000 0.6181820 D 1 1 0.2129000 1.0000000 D 1 1 0.0763400 1.0000000'); INSERT INTO "data_tab" VALUES(162,'Pt','PLATINUM L 4 1 6.6530000 0.2822560 0.0365750 2 3.9950000 -1.0759670 -0.2846060 3 1.5410000 1.1312550 0.7523460 4 0.5599000 0.4782410 0.4765850 L 1 1 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"data_tab" VALUES(162,'Po','POLONIUM L 4 1 1.8970000 0.1326900 0.0067960 2 1.0000000 -0.6815460 -0.1761420 3 0.3107000 0.8401790 0.4900920 4 0.1273000 0.5369420 0.6457590 L 1 1 0.0510000 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(162,'At','ASTATINE L 4 1 2.6760000 0.0689730 -0.0026520 2 0.9805000 -0.7186680 -0.1949710 3 0.3598000 0.9171230 0.5061720 4 0.1483000 0.5467490 0.6531710 L 1 1 0.0588700 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(162,'Rn','RADON L 4 1 2.4890000 0.0828200 0.0047270 2 1.0130000 -0.8032000 -0.2311800 3 0.4072000 0.9830730 0.5413540 4 0.1646000 0.5530510 0.6477450 L 1 1 0.0650000 1.0000000 1.0000000'); INSERT INTO "data_tab" VALUES(163,'Ga','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 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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'); INSERT INTO "data_tab" VALUES(163,'In','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'); INSERT INTO "data_tab" VALUES(163,'Sn','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'); INSERT INTO "data_tab" VALUES(163,'Sb','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'); INSERT INTO "data_tab" VALUES(163,'Te','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'); INSERT INTO "data_tab" VALUES(163,'I','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 3 3.7183190 0.0942320 4 2.3215470 -0.0995310 5 1.4494670 -0.1457100 6 0.9049800 -0.0001730 7 0.2183660 0.4617230 8 0.0496780 0.0744090 P 1 1 0.4373980 1.0000000 P 1 1 0.1059870 1.0000000 P 1 1 0.0418350 1.0000000 D 2 1 1.0796940 -0.1205572 2 0.4488510 0.5583476 D 1 1 0.1865970 1.0000000 D 1 1 0.0738310 1.0000000 F 1 1 0.4293190 1.0000000 F 1 1 0.1939730 1.0000000'); INSERT INTO "data_tab" VALUES(164,'Ga','GALLIUM S 1 1 0.0287480 1.0000000 P 1 1 0.0146100 1.0000000 D 1 1 0.0349270 1.0000000 F 1 1 0.0969550 1.0000000'); INSERT INTO "data_tab" VALUES(164,'Ge','GERMANIUM S 1 1 0.0427720 1.0000000 P 1 1 0.0258390 1.0000000 D 1 1 0.0509290 1.0000000 F 1 1 0.1330530 1.0000000'); INSERT INTO "data_tab" VALUES(164,'As','ARSENIC S 1 1 0.0538310 1.0000000 P 1 1 0.0370980 1.0000000 D 1 1 0.0626400 1.0000000 F 1 1 0.1582380 1.0000000'); INSERT INTO "data_tab" VALUES(164,'Se','SELENIUM S 1 1 0.0664920 1.0000000 P 1 1 0.0415830 1.0000000 D 1 1 0.0776480 1.0000000 F 1 1 0.1915460 1.0000000'); INSERT INTO "data_tab" VALUES(164,'Br','BROMINE S 1 1 0.0808210 1.0000000 P 1 1 0.0510520 1.0000000 D 1 1 0.0967350 1.0000000 F 1 1 0.2592890 1.0000000'); INSERT INTO "data_tab" VALUES(164,'In','INDIUM S 1 1 0.0259950 1.0000000 P 1 1 0.0149830 1.0000000 D 1 1 0.0295360 1.0000000 F 1 1 0.0826760 1.0000000'); INSERT INTO "data_tab" VALUES(164,'Sn','TIN S 1 1 0.0347710 1.0000000 P 1 1 0.0252210 1.0000000 D 1 1 0.0418500 1.0000000 F 1 1 0.1074800 1.0000000'); INSERT INTO "data_tab" VALUES(164,'Sb','ANTIMONY S 1 1 0.0428380 1.0000000 P 1 1 0.0322940 1.0000000 D 1 1 0.0530050 1.0000000 F 1 1 0.1260310 1.0000000'); INSERT INTO "data_tab" VALUES(164,'Te','TELLURIUM S 1 1 0.0545640 1.0000000 P 1 1 0.0362710 1.0000000 D 1 1 0.0662560 1.0000000 F 1 1 0.1481570 1.0000000'); INSERT INTO "data_tab" VALUES(164,'I','IODINE S 1 1 0.0657390 1.0000000 P 1 1 0.0418350 1.0000000 D 1 1 0.0738310 1.0000000 F 1 1 0.1939730 1.0000000'); INSERT INTO "data_tab" VALUES(165,'H','HYDROGEN S 2 1 1.309756377 0.430128498 2 0.233135974 0.678913531'); INSERT INTO "data_tab" VALUES(165,'He','HELIUM S 2 1 2.4328790 0.4301280 2 0.4330510 0.6789140'); INSERT INTO "data_tab" VALUES(165,'Li','LITHIUM S 2 1 6.1638450 0.4301280 2 1.0971610 0.6789140 L 2 1 0.2459160 0.0494720 0.5115410 2 0.0623710 0.9637820 0.6128200'); INSERT INTO "data_tab" VALUES(165,'Be','BERYLLIUM S 2 1 11.5356690 0.4301280 2 2.0533430 0.6789140 L 2 1 0.5081630 0.0494720 0.5115410 2 0.1288840 0.9637820 0.6128200'); INSERT INTO "data_tab" VALUES(165,'B','BORON S 2 1 18.6568730 0.4301280 2 3.3209140 0.6789140 L 2 1 0.8645500 0.0494720 0.5115410 2 0.2192730 0.9637820 0.6128200'); INSERT INTO "data_tab" VALUES(165,'C','CARBON S 2 1 27.38503303 0.430128498 2 4.874522052 0.678913531 L 2 1 1.136748189 0.049471769 0.511540708 2 0.288309360 0.963782408 0.612819896'); INSERT INTO "data_tab" VALUES(165,'N','NITROGEN S 2 1 37.8964750 0.4301280 2 6.7455540 0.6789140 L 2 1 1.4610890 0.0494720 0.5115410 2 0.3705710 0.9637820 0.6128200'); INSERT INTO "data_tab" VALUES(165,'O','OXYGEN S 2 1 49.9809710 0.4301280 2 8.8965880 0.6789140 L 2 1 1.9452370 0.0494720 0.5115410 2 0.4933630 0.9637820 0.6128200'); INSERT INTO "data_tab" VALUES(165,'F','FLUORINE S 2 1 63.7352020 0.4301280 2 11.3448340 0.6789140 L 2 1 2.4985480 0.0494720 0.5115410 2 0.6336980 0.9637820 0.6128200'); INSERT INTO "data_tab" VALUES(165,'Ne','NEON S 2 1 79.1591680 0.4301280 2 14.0902920 0.6789140 L 2 1 3.1870760 0.0494720 0.5115410 2 0.8083270 0.9637820 0.6128200'); INSERT INTO "data_tab" VALUES(165,'Na','SODIUM S 2 1 95.8910160 0.4301280 2 17.0685520 0.6789140 L 2 1 4.6533520 0.0494720 0.5115410 2 1.1802130 0.9637820 0.6128200 L 2 1 0.2840050 -0.2983990 0.3480470 2 0.0974390 1.2279830 0.7222520'); INSERT INTO "data_tab" VALUES(165,'Mg','MAGNESIUM S 2 1 114.4231830 0.4301280 2 20.3672690 0.6789140 L 2 1 5.8443550 0.0494720 0.5115410 2 1.4822830 0.9637820 0.6128200 L 2 1 0.3178150 -0.2983990 0.3480470 2 0.1090390 1.2279830 0.7222520'); INSERT INTO "data_tab" VALUES(165,'Al','ALUMINUM S 2 1 134.3774610 0.4301280 2 23.9191200 0.6789140 L 2 1 7.3043300 0.0494720 0.5115410 2 1.8525710 0.9637820 0.6128200 L 2 1 0.3747870 -0.2983990 0.3480470 2 0.1285860 1.2279830 0.7222520'); INSERT INTO "data_tab" VALUES(165,'Si','SILICON S 2 1 155.9346910 0.4301280 2 27.7562960 0.6789140 L 2 1 8.9639960 0.0494720 0.5115410 2 2.2735060 0.9637820 0.6128200 L 2 1 0.4660350 -0.2983990 0.3480470 2 0.1598920 1.2279830 0.7222520'); INSERT INTO "data_tab" VALUES(165,'P','PHOSPHORUS S 2 1 179.0948740 0.4301280 2 31.8787970 0.6789140 L 2 1 10.8341890 0.0494720 0.5115410 2 2.7478370 0.9637820 0.6128200 L 2 1 0.5872910 -0.2983990 0.3480470 2 0.2014940 1.2279830 0.7222520'); INSERT INTO "data_tab" VALUES(165,'S','SULFUR S 2 1 203.8580090 0.4301280 2 36.2866230 0.6789140 L 2 1 12.8814430 0.0494720 0.5115410 2 3.2670740 0.9637820 0.6128200 L 2 1 0.7225530 -0.2983990 0.3480470 2 0.2479010 1.2279830 0.7222520'); INSERT INTO "data_tab" VALUES(165,'Cl','CHLORINE S 2 1 229.9441040 0.4301280 2 40.9299350 0.6789140 L 2 1 15.0576100 0.0494720 0.5115410 2 3.8190080 0.9637820 0.6128200 L 2 1 0.8883460 -0.2983990 0.3480470 2 0.3047830 1.2279830 0.7222520'); INSERT INTO "data_tab" VALUES(165,'Ar','ARGON S 2 1 257.8966190 0.4301280 2 45.9054680 0.6789140 L 2 1 17.4552940 0.0494720 0.5115410 2 4.4271240 0.9637820 0.6128200 L 2 1 1.0530930 -0.2983990 0.3480470 2 0.3613060 1.2279830 0.7222520'); INSERT INTO "data_tab" VALUES(165,'K','POTASSIUM S 2 1 295.0121465 0.4301284983 2 52.51201337 0.6789135305 L 2 1 20.25259239 0.0494717692 0.5115407076 2 5.136592224 0.9637824081 0.6128198961 L 2 1 1.466966455 -0.298398604 0.3480471912 2 0.503301550 1.227982887 0.7222523221 L 2 1 0.254048142 -0.661560302 0.1309890515 2 0.102239820 1.510754134 0.8946431268'); INSERT INTO "data_tab" VALUES(165,'Ca','CALCIUM S 2 1 326.5671727 0.4301284983 2 58.12879211 0.6789135305 L 2 1 23.01915102 0.0494717692 0.5115407076 2 5.838264545 0.9637824081 0.6128198961 L 2 1 1.757469459 -0.2983986044 0.3480471912 2 0.602970232 1.2279828870 0.7222523221 L 2 1 0.229785047 -0.6615603018 0.1309890515 2 0.092475315 1.5107541340 0.8946431268'); INSERT INTO "data_tab" VALUES(165,'Sr','STRONTIUM S 2 1 1185.7623300 0.4301284983 2 211.0650970 0.6789135305 L 2 1 101.8394821 0.0494717692 0.5115407076 2 25.82918184 0.9637824081 0.6128198961 L 2 1 12.54411156 -0.3121716958 0.2940025217 2 3.879731996 1.2253984220 0.7800415894 L 2 1 1.240560967 -0.6615603018 0.1309890515 2 0.499254706 1.5107541340 0.8946431268 L 2 1 0.2632280820 -1.0936897920 -0.1047403535 2 0.1273435176 1.8813746560 1.0876267930 D 2 1 12.54411156 0.6006042500 2 3.879731996 0.5292040571'); INSERT INTO "data_tab" VALUES(166,'Ga','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 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 D 1 1 0.3158480 1.0000000 D 1 1 0.1115430 1.0000000 F 1 1 0.2838330 1.0000000'); INSERT INTO "data_tab" VALUES(166,'Ge','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 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 D 1 1 0.4040690 1.0000000 D 1 1 0.1474090 1.0000000 F 1 1 0.3534250 1.0000000'); INSERT INTO "data_tab" VALUES(166,'As','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 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 D 1 1 0.4015240 1.0000000 D 1 1 0.1716520 1.0000000 F 1 1 0.4315080 1.0000000'); INSERT INTO "data_tab" VALUES(166,'Se','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 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 D 1 1 0.4754120 1.0000000 D 1 1 0.2077760 1.0000000 F 1 1 0.4817040 1.0000000'); INSERT INTO "data_tab" VALUES(166,'Br','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 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 D 1 1 0.6013860 1.0000000 D 1 1 0.2523660 1.0000000 F 1 1 0.5812580 1.0000000'); INSERT INTO "data_tab" VALUES(166,'Kr','KRYPTON S 12 1 442.8931540 0.0001200 2 239.2602730 -0.0001660 3 129.2534720 0.0004420 4 69.8254670 -0.0003420 5 37.7211980 0.0009320 6 20.3777910 -0.0000170 7 11.0085150 -0.0162340 8 5.9470330 0.1429740 9 3.2127130 -0.2390570 10 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0.1559162750 2 3.5139870 0.39951282610 0.6076837186 3 1.1428570 0.70011546890 0.3919573931 L 3 1 1.3954480 -0.2196203690 0.01058760429 2 0.3893260 0.2255954336 0.59516700530 3 0.1523800 0.9003984260 0.46200101200'); INSERT INTO "data_tab" VALUES(168,'Al','ALUMINUM S 3 1 351.4214767 0.1543289673 2 64.01186067 0.5353281423 3 17.32410761 0.4446345422 L 3 1 18.89939621 -0.09996722919 0.1559162750 2 4.391813233 0.39951282610 0.6076837186 3 1.428353970 0.70011546890 0.3919573931 L 3 1 1.3954482930 -0.2196203690 0.01058760429 2 0.3893265318 0.2255954336 0.59516700530 3 0.1523797659 0.9003984260 0.46200101200'); INSERT INTO "data_tab" VALUES(168,'Si','SILICON S 3 1 407.7975514 0.1543289673 2 74.28083305 0.5353281423 3 20.10329229 0.4446345422 L 3 1 23.19365606 -0.09996722919 0.1559162750 2 5.389706871 0.39951282610 0.6076837186 3 1.752899952 0.70011546890 0.3919573931 L 3 1 1.4787406220 -0.2196203690 0.01058760429 2 0.4125648801 0.2255954336 0.59516700530 3 0.1614750979 0.9003984260 0.46200101200'); INSERT INTO "data_tab" VALUES(168,'P','PHOSPHORUS S 3 1 468.3656378 0.1543289673 2 85.31338559 0.5353281423 3 23.08913156 0.4446345422 L 3 1 28.03263958 -0.09996722919 0.1559162750 2 6.514182577 0.39951282610 0.6076837186 3 2.118614352 0.70011546890 0.3919573931 L 3 1 1.7431032310 -0.2196203690 0.01058760429 2 0.4863213771 0.2255954336 0.59516700530 3 0.1903428909 0.9003984260 0.46200101200'); INSERT INTO "data_tab" VALUES(168,'S','SULFUR S 3 1 533.1257359 0.1543289673 2 97.10951830 0.5353281423 3 26.28162542 0.4446345422 L 3 1 33.32975173 -0.09996722919 0.1559162750 2 7.745117521 0.39951282610 0.6076837186 3 2.518952599 0.70011546890 0.3919573931 L 3 1 2.0291942740 -0.2196203690 0.01058760429 2 0.5661400518 0.2255954336 0.59516700530 3 0.2215833792 0.9003984260 0.46200101200'); INSERT INTO "data_tab" VALUES(168,'Cl','CHLORINE S 3 1 601.3456136 0.1543289673 2 109.5358542 0.5353281423 3 29.64467686 0.4446345422 L 3 1 38.96041889 -0.09996722919 0.1559162750 2 9.053563477 0.39951282610 0.6076837186 3 2.944499834 0.70011546890 0.3919573931 L 3 1 2.1293864950 -0.2196203690 0.01058760429 2 0.5940934274 0.2255954336 0.59516700530 3 0.2325241410 0.9003984260 0.46200101200'); INSERT INTO "data_tab" VALUES(168,'Ar','ARGON S 3 1 674.4465184 0.1543289673 2 122.8512753 0.5353281423 3 33.24834945 0.4446345422 L 3 1 45.16424392 -0.09996722919 0.1559162750 2 10.49519900 0.39951282610 0.6076837186 3 3.413364448 0.70011546890 0.3919573931 L 3 1 2.6213665180 -0.2196203690 0.01058760429 2 0.7313546050 0.2255954336 0.59516700530 3 0.2862472356 0.9003984260 0.46200101200'); INSERT INTO "data_tab" VALUES(168,'K','POTASSIUM S 3 1 771.5103681 0.1543289673 2 140.5315766 0.5353281423 3 38.03332899 0.4446345422 L 3 1 52.40203979 -0.0999672292 0.1559162750 2 12.17710710 0.3995128261 0.6076837186 3 3.960373165 0.7001154689 0.3919573931 L 3 1 3.651583985 -0.2196203690 0.0105876043 2 1.018782663 0.2255954336 0.5951670053 3 0.3987446295 0.9003984260 0.4620010120 L 3 1 0.5039822505 -0.3088441215 -0.1215468600 2 0.1860011465 0.0196064117 0.5715227604 3 0.08214006743 1.1310344420 0.5498949471'); INSERT INTO "data_tab" VALUES(168,'Ca','CALCIUM S 3 1 854.0324951 0.1543289673 2 155.5630851 0.5353281423 3 42.10144179 0.4446345422 L 3 1 59.56029944 -0.0999672292 0.1559162750 2 13.84053270 0.3995128261 0.6076837186 3 4.501370797 0.7001154689 0.3919573931 L 3 1 4.374706256 -0.2196203690 0.0105876043 2 1.220531941 0.2255954336 0.5951670053 3 0.477707930 0.9003984260 0.4620010120 L 3 1 0.4558489757 -0.3088441215 -0.1215468600 2 0.1682369410 0.0196064117 0.5715227604 3 0.0742952070 1.1310344420 0.5498949471'); INSERT INTO "data_tab" VALUES(168,'Sc','SCANDIUM S 3 1 941.6624250 0.1543289673 2 171.5249862 0.5353281423 3 46.42135516 0.4446345422 L 3 1 67.17668771 -0.0999672292 0.1559162750 2 15.61041754 0.3995128261 0.6076837186 3 5.076992278 0.7001154689 0.3919573931 L 3 1 4.698159231 -0.2277635023 0.0049515112 2 1.433088313 0.2175436044 0.5777664691 3 0.552930024 0.9166769611 0.4846460366 L 3 1 0.6309328384 -0.3088441215 -0.1215468600 2 0.2328538976 0.0196064117 0.5715227604 3 0.1028307363 1.1310344420 0.5498949471 D 3 1 0.5517000679 0.2197679508 2 0.1682861055 0.6555473627 3 0.0649300112 0.2865732590'); INSERT INTO "data_tab" VALUES(168,'Ti','TITANIUM S 3 1 1033.5712450 0.1543289673 2 188.2662926 0.5353281423 3 50.95220601 0.4446345422 L 3 1 75.25120460 -0.0999672292 0.1559162750 2 17.48676162 0.3995128261 0.6076837186 3 5.687237606 0.7001154689 0.3919573931 L 3 1 5.395535474 -0.2277635023 0.0049515112 2 1.645810296 0.2175436044 0.5777664691 3 0.635004777 0.9166769611 0.4846460366 L 3 1 0.7122640246 -0.3088441215 -0.1215468600 2 0.2628702203 0.0196064117 0.5715227604 3 0.1160862609 1.1310344420 0.5498949471 D 3 1 1.645981194 0.2197679508 2 0.502076728 0.6555473627 3 0.193716810 0.2865732590'); INSERT INTO "data_tab" VALUES(168,'V','VANADIUM S 3 1 1130.7625170 0.1543289673 2 205.9698041 0.5353281423 3 55.74346711 0.4446345422 L 3 1 83.78385011 -0.0999672292 0.1559162750 2 19.46956493 0.3995128261 0.6076837186 3 6.332106784 0.7001154689 0.3919573931 L 3 1 6.141151276 -0.2277635023 0.0049515112 2 1.873246881 0.2175436044 0.5777664691 3 0.7227568825 0.9166769611 0.4846460366 L 3 1 0.7122640246 -0.3088441215 -0.1215468600 2 0.2628702203 0.0196064117 0.5715227604 3 0.1160862609 1.1310344420 0.5498949471 D 3 1 2.964817927 0.2197679508 2 0.9043639676 0.6555473627 3 0.3489317337 0.2865732590'); INSERT INTO "data_tab" VALUES(168,'Cr','CHROMIUM S 3 1 1232.3204500 0.1543289673 2 224.4687082 0.5353281423 3 60.74999251 0.4446345422 L 3 1 92.77462423 -0.0999672292 0.1559162750 2 21.55882749 0.3995128261 0.6076837186 3 7.011599810 0.7001154689 0.3919573931 L 3 1 6.899488096 -0.2277635023 0.0049515112 2 2.104563782 0.2175436044 0.5777664691 3 0.8120061343 0.9166769611 0.4846460366 L 3 1 0.7547780537 -0.3088441215 -0.1215468600 2 0.2785605708 0.0196064117 0.5715227604 3 0.1230152851 1.1310344420 0.5498949471 D 3 1 4.241479241 0.2197679508 2 1.293786360 0.6555473627 3 0.4991829993 0.2865732590'); INSERT INTO "data_tab" VALUES(168,'Mn','MANGANESE S 3 1 1337.1532660 0.1543289673 2 243.5641365 0.5353281423 3 65.91796062 0.4446345422 L 3 1 102.0220021 -0.0999672292 0.1559162750 2 23.70771923 0.3995128261 0.6076837186 3 7.710486098 0.7001154689 0.3919573931 L 3 1 7.701960922 -0.2277635023 0.0049515112 2 2.349343572 0.2175436044 0.5777664691 3 0.906449787 0.9166769611 0.4846460366 L 3 1 0.670982286 -0.3088441215 -0.1215468600 2 0.247634663 0.0196064117 0.5715227604 3 0.109358078 1.1310344420 0.5498949471 D 3 1 5.426950461 0.2197679508 2 1.655392868 0.6555473627 3 0.638702032 0.2865732590'); INSERT INTO "data_tab" VALUES(168,'Fe','IRON S 3 1 1447.4004110 0.1543289673 2 263.6457916 0.5353281423 3 71.35284019 0.4446345422 L 3 1 111.9194891 -0.0999672292 0.1559162750 2 26.00768236 0.3995128261 0.6076837186 3 8.458505490 0.7001154689 0.3919573931 L 3 1 8.548569754 -0.2277635023 0.0049515112 2 2.607586250 0.2175436044 0.5777664691 3 1.006087840 0.9166769611 0.4846460366 L 3 1 0.5921156814 -0.3088441215 -0.1215468600 2 0.2185279254 0.0196064117 0.5715227604 3 0.0965042359 1.1310344420 0.5498949471 D 3 1 6.411803475 0.2197679508 2 1.955804428 0.6555473627 3 0.754610151 0.2865732590'); INSERT INTO "data_tab" VALUES(168,'Co','COBALT S 3 1 1557.2987040 0.1543289673 2 283.6639029 0.5353281423 3 76.77052234 0.4446345422 L 3 1 121.8344741 -0.0999672292 0.1559162750 2 28.31171164 0.3995128261 0.6076837186 3 9.207847321 0.7001154689 0.3919573931 L 3 1 9.480851678 -0.2277635023 0.0049515112 2 2.891961952 0.2175436044 0.5777664691 3 1.115808827 0.9166769611 0.4846460366 L 3 1 0.5921156814 -0.3088441215 -0.1215468600 2 0.2185279254 0.0196064117 0.5715227604 3 0.0965042359 1.1310344420 0.5498949471 D 3 1 7.664527389 0.2197679508 2 2.337925151 0.6555473627 3 0.902044205 0.2865732590'); INSERT INTO "data_tab" VALUES(168,'Ni','NICKEL S 3 1 1679.7710280 0.1543289673 2 305.9723896 0.5353281423 3 82.80806943 0.4446345422 L 3 1 132.8588899 -0.0999672292 0.1559162750 2 30.87354878 0.3995128261 0.6076837186 3 10.04103627 0.7001154689 0.3919573931 L 3 1 10.33074335 -0.2277635023 0.0049515112 2 3.151206003 0.2175436044 0.5777664691 3 1.215833241 0.9166769611 0.4846460366 L 3 1 0.6309328384 -0.3088441215 -0.1215468600 2 0.2328538976 0.0196064117 0.5715227604 3 0.1028307363 1.1310344420 0.5498949471 D 3 1 8.627722755 0.2197679508 2 2.631730438 0.6555473627 3 1.015403419 0.2865732590'); INSERT INTO "data_tab" VALUES(168,'Cu','COPPER S 3 1 1801.8067300 0.1543289673 2 328.2013450 0.5353281423 3 88.82409228 0.4446345422 L 3 1 144.1212184 -0.0999672292 0.1559162750 2 33.49067173 0.3995128261 0.6076837186 3 10.89220588 0.7001154689 0.3919573931 L 3 1 11.30775402 -0.2277635023 0.0049515112 2 3.449225397 0.2175436044 0.5777664691 3 1.330818388 0.9166769611 0.4846460366 L 3 1 0.6309328384 -0.3088441215 -0.1215468600 2 0.2328538976 0.0196064117 0.5715227604 3 0.1028307363 1.1310344420 0.5498949471 D 3 1 9.647911930 0.2197679508 2 2.942920654 0.6555473627 3 1.135470278 0.2865732590'); INSERT INTO "data_tab" VALUES(168,'Zn','ZINC S 3 1 1929.4323010 0.1543289673 2 351.4485021 0.5353281423 3 95.11568021 0.4446345422 L 3 1 155.8416755 -0.0999672292 0.1559162750 2 36.21425391 0.3995128261 0.6076837186 3 11.77799934 0.7001154689 0.3919573931 L 3 1 12.28152744 -0.2277635023 0.0049515112 2 3.746257327 0.2175436044 0.5777664691 3 1.445422541 0.9166769611 0.4846460366 L 3 1 0.8897138854 -0.3088441215 -0.1215468600 2 0.3283603790 0.0196064117 0.5715227604 3 0.1450074055 1.1310344420 0.5498949471 D 3 1 10.94737077 0.2197679508 2 3.339297018 0.6555473627 3 1.288404602 0.2865732590'); INSERT INTO "data_tab" VALUES(168,'Ga','GALLIUM S 3 1 2061.4245320 0.1543289673 2 375.4910517 0.5353281423 3 101.6225324 0.4446345422 L 3 1 167.7618680 -0.0999672292 0.1559162750 2 38.98425028 0.3995128261 0.6076837186 3 12.67888813 0.7001154689 0.3919573931 L 3 1 12.61505520 -0.2277635023 0.0049515112 2 3.847993927 0.2175436044 0.5777664691 3 1.484675684 0.9166769611 0.4846460366 L 3 1 0.7985243736 -0.3088441215 -0.1215468600 2 0.2947057141 0.0196064117 0.5715227604 3 0.1301451506 1.1310344420 0.5498949471 D 3 1 12.61505520 0.2197679508 2 3.847993927 0.6555473627 3 1.484675684 0.2865732590'); INSERT INTO "data_tab" VALUES(168,'Ge','GERMANIUM S 3 1 2196.3842290 0.1543289673 2 400.0741292 0.5353281423 3 108.2756726 0.4446345422 L 3 1 180.3890380 -0.0999672292 0.1559162750 2 41.91853304 0.3995128261 0.6076837186 3 13.63320795 0.7001154689 0.3919573931 L 3 1 14.19665619 -0.2277635023 0.0049515112 2 4.330432640 0.2175436044 0.5777664691 3 1.670815538 0.9166769611 0.4846460366 L 3 1 0.9858325600 -0.3088441215 -0.1215468600 2 0.3638342150 0.0196064117 0.5715227604 3 0.1606730254 1.1310344420 0.5498949471 D 3 1 14.19665619 0.2197679508 2 4.330432640 0.6555473627 3 1.670815538 0.2865732590'); INSERT INTO "data_tab" VALUES(168,'As','ARSENIC S 3 1 2337.0656730 0.1543289673 2 425.6994298 0.5353281423 3 115.2108790 0.4446345422 L 3 1 193.1970535 -0.0999672292 0.1559162750 2 44.89484040 0.3995128261 0.6076837186 3 14.60119548 0.7001154689 0.3919573931 L 3 1 15.87163584 -0.2277635023 0.0049515112 2 4.841354819 0.2175436044 0.5777664691 3 1.867945198 0.9166769611 0.4846460366 L 3 1 1.1076814640 -0.3088441215 -0.1215468600 2 0.4088041239 0.0196064117 0.5715227604 3 0.1805322114 1.1310344420 0.5498949471 D 3 1 15.87163584 0.2197679508 2 4.841354819 0.6555473627 3 1.867945198 0.2865732590'); INSERT INTO "data_tab" VALUES(168,'Se','SELENIUM S 3 1 2480.6268140 0.1543289673 2 451.8492708 0.5353281423 3 122.2880464 0.4446345422 L 3 1 206.1578780 -0.0999672292 0.1559162750 2 47.90665727 0.3995128261 0.6076837186 3 15.58073180 0.7001154689 0.3919573931 L 3 1 17.63999414 -0.2277635023 0.0049515112 2 5.380760465 0.2175436044 0.5777664691 3 2.076064666 0.9166769611 0.4846460366 L 3 1 1.2146442970 -0.3088441215 -0.1215468600 2 0.4482801363 0.0196064117 0.5715227604 3 0.1979652346 1.1310344420 0.5498949471 D 3 1 17.63999414 0.2197679508 2 5.380760465 0.6555473627 3 2.076064666 0.2865732590'); INSERT INTO "data_tab" VALUES(168,'Br','BROMINE S 3 1 2629.9974710 0.1543289673 2 479.0573224 0.5353281423 3 129.6516070 0.4446345422 L 3 1 219.8350255 -0.0999672292 0.1559162750 2 51.08493222 0.3995128261 0.6076837186 3 16.61440546 0.7001154689 0.3919573931 L 3 1 19.50173109 -0.2277635023 0.0049515112 2 5.948649577 0.2175436044 0.5777664691 3 2.295173940 0.9166769611 0.4846460366 L 3 1 1.3960374880 -0.3088441215 -0.1215468600 2 0.5152256318 0.0196064117 0.5715227604 3 0.2275290713 1.1310344420 0.5498949471 D 3 1 19.50173109 0.2197679508 2 5.948649577 0.6555473627 3 2.295173940 0.2865732590'); INSERT INTO "data_tab" VALUES(168,'Kr','KRYPTON S 3 1 2782.1600550 0.1543289673 2 506.7739270 0.5353281423 3 137.1528019 0.4446345422 L 3 1 233.9514118 -0.0999672292 0.1559162750 2 54.36527681 0.3995128261 0.6076837186 3 17.68127533 0.7001154689 0.3919573931 L 3 1 21.45684671 -0.2277635023 0.0049515112 2 6.545022156 0.2175436044 0.5777664691 3 2.525273021 0.9166769611 0.4846460366 L 3 1 1.5900493360 -0.3088441215 -0.1215468600 2 0.5868282053 0.0196064117 0.5715227604 3 0.2591495227 1.1310344420 0.5498949471 D 3 1 21.45684671 0.2197679508 2 6.545022156 0.6555473627 3 2.525273021 0.2865732590'); INSERT INTO "data_tab" VALUES(168,'Rb','RUBIDIUM S 3 1 2938.6015290 0.1543289673 2 535.2699370 0.5353281423 3 144.8649340 0.4446345422 L 3 1 248.5070370 -0.0999672292 0.1559162750 2 57.7476910 0.3995128261 0.6076837186 3 18.7813410 0.7001154689 0.3919573931 L 3 1 23.50534097 -0.2277635023 0.0049515111 2 7.169878201 0.2175436044 0.5777664691 3 2.766361909 0.9166769611 0.4846460366 L 3 1 2.247796820 -0.3088441215 -0.1215468600 2 0.829578393 0.0196064117 0.5715227604 3 0.366350565 1.1310344420 0.5498949471 L 3 1 0.4869939919 -0.3842642607 -0.3481691526 2 0.2622161565 -0.1972567438 0.6290323690 3 0.1158254875 1.3754955120 0.6662832743 D 3 1 23.50534097 0.2197679508 2 7.169878201 0.6555473627 3 2.766361909 0.2865732590'); INSERT INTO "data_tab" VALUES(168,'Sr','STRONTIUM S 3 1 3100.9839510 0.1543289673 2 564.8480978 0.5353281423 3 152.8699389 0.4446345422 L 3 1 263.5019007 -0.0999672292 0.1559162750 2 61.23217493 0.3995128261 0.6076837186 3 19.91460372 0.7001154689 0.3919573931 L 3 1 25.57886692 -0.2277635023 0.0049515111 2 7.802369707 0.2175436044 0.5777664691 3 3.010396794 0.9166769611 0.4846460366 L 3 1 2.461032403 -0.3088441215 -0.1215468600 2 0.908275734 0.0196064117 0.5715227604 3 0.401104140 1.1310344420 0.5498949471 L 3 1 0.4370804803 -0.3842642607 -0.3481691526 2 0.2353408164 -0.1972567438 0.6290323690 3 0.1039541771 1.3754955120 0.6662832743 D 3 1 25.57886692 0.2197679508 2 7.802369707 0.6555473627 3 3.010396794 0.2865732590'); INSERT INTO "data_tab" VALUES(168,'Y','YTTRIUM S 3 1 3266.0268690 0.1543289673 2 594.9108710 0.5353281423 3 161.0060990 0.4446345422 L 3 1 277.9377240 -0.0999672292 0.1559162750 2 64.5867500 0.3995128261 0.6076837186 3 21.0056160 0.7001154689 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INTO "data_tab" VALUES(168,'Tc','TECHNETIUM S 3 1 3970.8682570 0.1543289673 2 723.2986098 0.5353281423 3 195.7528311 0.4446345422 L 3 1 343.5846323 -0.0999672292 0.1559162750 2 79.84167952 0.3995128261 0.6076837186 3 25.96699219 0.7001154689 0.3919573931 L 3 1 38.08991983 -0.2277635023 0.0049515111 2 11.61863962 0.2175436044 0.5777664691 3 4.482832367 0.9166769611 0.4846460366 L 3 1 3.829752708 -0.3306100626 -0.1283927634 2 1.491285854 0.0576109533 0.5852047641 3 0.6564677040 1.1557874500 0.5439442040 L 3 1 0.4616999826 -0.3842642607 -0.3481691526 2 0.2485968963 -0.1972567438 0.6290323690 3 0.1098096207 1.3754955120 0.6662832743 D 3 1 38.08991983 0.2197679508 2 11.61863962 0.6555473627 3 4.482832367 0.2865732590 D 3 1 2.101373228 0.1250662138 2 0.8182638428 0.6686785577 3 0.3602017580 0.3052468245'); INSERT INTO "data_tab" VALUES(168,'Ru','RUTHENIUM S 3 1 4159.2742100 0.1543289673 2 757.6169894 0.5353281423 3 205.0407239 0.4446345422 L 3 1 360.7986561 -0.0999672292 0.1559162750 2 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INSERT INTO "data_tab" VALUES(169,'Na','SODIUM S 3 1 250.7724300 0.1543289673 2 45.6785110 0.5353281423 3 12.3623880 0.4446345422 L 3 1 12.0401930 -0.09996722919 0.1559162750 2 2.7978819 0.39951282610 0.6076837186 3 0.9099580 0.70011546890 0.3919573931 L 3 1 1.4787406 -0.2196203690 0.01058760429 2 0.4125649 0.2255954336 0.59516700530 3 0.1614751 0.9003984260 0.46200101200 D 1 1 0.0900000 1.0000000'); INSERT INTO "data_tab" VALUES(169,'Mg','MAGNESIUM S 3 1 299.2374000 0.1543289673 2 54.5064700 0.5353281423 3 14.7515800 0.4446345422 L 3 1 15.1218200 -0.09996722919 0.1559162750 2 3.5139870 0.39951282610 0.6076837186 3 1.1428570 0.70011546890 0.3919573931 L 3 1 1.3954480 -0.2196203690 0.01058760429 2 0.3893260 0.2255954336 0.59516700530 3 0.1523800 0.9003984260 0.46200101200 D 1 1 0.0900000 1.0000000'); INSERT INTO "data_tab" VALUES(169,'Al','ALUMINUM S 3 1 351.4214767 0.1543289673 2 64.01186067 0.5353281423 3 17.32410761 0.4446345422 L 3 1 18.89939621 -0.09996722919 0.1559162750 2 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"data_tab" VALUES(171,'Ne','NEON S 7 1 12100.0000000 0.0012000 2 1821.0000000 0.0090920 3 432.8000000 0.0413050 4 132.5000000 0.1378670 5 43.7700000 0.3624330 6 14.9100000 0.4722470 7 5.1270000 0.1300350 S 2 1 14.9100000 -0.1408100 2 1.4910000 1.0533270 S 1 1 0.4468000 1.0000000 P 4 1 56.4500000 0.0208750 2 12.9200000 0.1300320 3 3.8650000 0.3956790 4 1.2030000 0.6214500 P 1 1 0.3444000 1.0000000'); INSERT INTO "data_tab" VALUES(172,'H','HYDROGEN S 6 1 35.52322122 0.00916359628 2 6.513143725 0.04936149294 3 1.822142904 0.16853830490 4 0.625955266 0.37056279970 5 0.243076747 0.41649152980 6 0.100112428 0.13033408410'); INSERT INTO "data_tab" VALUES(172,'He','HELIUM S 6 1 65.98456824 0.00916359628 2 12.09819836 0.04936149294 3 3.384639924 0.16853830490 4 1.162715163 0.37056279970 5 0.451516322 0.41649152980 6 0.185959356 0.13033408410'); INSERT INTO "data_tab" VALUES(172,'Li','LITHIUM S 6 1 167.17584620 0.00916359628 2 30.651508400 0.04936149294 3 8.5751874770 0.16853830490 4 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INTO "data_tab" VALUES(172,'Si','SILICON S 6 1 0.4229261737E+04 0.00916359628 2 0.7754305100E+03 0.04936149294 3 0.2169375129E+03 0.16853830490 4 0.7452389069E+02 0.37056279970 5 0.2893980755E+02 0.41649152980 6 0.1191901091E+02 0.13033408410 L 6 1 0.2404904849E+03 -0.0132527881 0.0037596966 2 0.4759934318E+02 -0.0469917101 0.0376793698 3 0.1479384038E+02 -0.0337853715 0.1738967435 4 0.5691723632E+01 0.2502417861 0.4180364347 5 0.2471919452E+01 0.5951172526 0.4258595477 6 0.1133061545E+01 0.2407061763 0.1017082955 L 6 1 0.9433006047E+01 -0.0079431264 -0.0071393589 2 0.2526243756E+01 -0.0710026417 -0.0182927707 3 0.9473682506E+00 -0.1785026925 0.0762162143 4 0.4240594435E+00 0.1510635058 0.4145098597 5 0.2098454079E+00 0.7354914767 0.4889621471 6 0.1081470943E+00 0.2760593123 0.1058816521'); INSERT INTO "data_tab" VALUES(172,'P','PHOSPHORUS S 6 1 0.4857412371E+04 0.00916359628 2 0.8906012410E+03 0.04936149294 3 0.2491581331E+03 0.16853830490 4 0.8559254335E+02 0.37056279970 5 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1 0.4460000 1.0000000 D 1 1 0.2322000 1.0000000 D 1 1 0.1208000 1.0000000 F 1 1 0.5157000 1.0000000'); INSERT INTO "data_tab" VALUES(181,'Cs','CESIUM S 3 1 0.3974310 0.2396470 2 0.2297960 -0.5541720 3 0.0365350 0.2513590 S 1 1 0.0189010 1.0000000 P 3 1 0.1239000 -0.1309060 2 0.0522810 0.1313700 3 0.0218970 0.6195840 P 1 1 0.0095740 1.0000000'); INSERT INTO "data_tab" VALUES(181,'Ba','BARIUM S 3 1 0.4928470 0.2289670 2 0.2828440 -0.5810350 3 0.0448740 0.6673080 S 1 1 0.0205860 1.0000000 P 3 1 0.1537520 -0.2715930 2 0.0809870 0.3542340 3 0.0325660 0.6642640 P 1 1 0.0142380 1.0000000'); INSERT INTO "data_tab" VALUES(181,'Hg','MERCURY S 3 1 1.3548420 0.2364940 2 0.8288920 -0.5996280 3 0.1339320 0.8463050 S 1 1 0.0510170 1.0000000 P 3 1 1.0001460 0.1449540 2 0.8664530 -0.2049710 3 0.1182060 0.4903010 P 1 1 0.0351550 1.0000000 D 1 1 0.1900000 1.0000000'); INSERT INTO "data_tab" VALUES(181,'Tl','THALLIUM S 3 1 1.4633390 0.4254620 2 0.9909960 -0.8297730 3 0.1632550 0.8324440 S 1 1 0.0608020 1.0000000 P 3 1 1.3425020 0.0971080 2 0.9939890 -0.1932540 3 0.1496930 0.5147750 P 1 1 0.0456120 1.0000000 D 1 1 0.1500000 1.0000000'); INSERT INTO "data_tab" VALUES(181,'Pb','LEAD S 3 1 1.3051750 1.0104020 2 1.1352820 -1.4023550 3 0.2027710 0.7933720 S 1 1 0.0817960 1.0000000 P 3 1 1.4416840 0.1456260 2 0.9771430 -0.3198630 3 0.1945050 0.5536900 P 1 1 0.0627100 1.0000000 D 1 1 0.1700000 1.0000000'); INSERT INTO "data_tab" VALUES(181,'Bi','BISMUTH S 3 1 1.4253880 0.0760080 2 0.9849140 -0.4574080 3 0.2525140 0.7021840 S 1 1 0.1006190 1.0000000 P 3 1 1.5172830 0.3466820 2 1.2533070 -0.5133130 3 0.2079490 0.6484570 P 1 1 0.0694330 1.0000000 D 1 1 0.1700000 1.0000000'); INSERT INTO "data_tab" VALUES(181,'Po','POLONIUM S 3 1 1.9570300 0.3567870 2 1.2992660 -0.8254650 3 0.2844790 0.8602430 S 1 1 0.0994230 1.0000000 P 3 1 1.7311350 0.1738230 2 1.2821620 -0.3364260 3 0.2354460 0.6932420 P 1 1 0.0722990 1.0000000 P 1 1 0.0202070 1.0000000 D 1 1 0.2100000 1.0000000'); INSERT INTO "data_tab" VALUES(181,'At','ASTATINE S 3 1 1.9624200 0.5190180 2 1.3873590 -1.0256140 3 0.2962310 0.9535080 S 1 1 0.1041270 1.0000000 P 3 1 2.2021380 0.0634430 2 1.3387910 -0.1945740 3 0.2620810 0.6511040 P 1 1 0.0962680 1.0000000 P 1 1 0.0378490 1.0000000 D 1 1 0.2300000 1.0000000'); INSERT INTO "data_tab" VALUES(181,'Rn','RADON S 3 1 1.9783250 0.6789880 2 1.5140330 -1.1841590 3 0.3246540 0.9210860 S 1 1 0.1273660 1.0000000 P 3 1 2.0310950 0.2320400 2 1.6561220 -0.3545180 3 0.2983650 0.6651200 P 1 1 0.1032220 1.0000000 D 1 1 0.2600000 1.0000000'); INSERT INTO "data_tab" VALUES(181,'Ac','ACTINIUM S 4 1 22.1940300 0.0005820 2 5.1618960 -0.2274570 3 3.4412640 1.1136920 4 2.2941760 -1.3602950 S 1 1 1.5294510 1.0000000 S 1 1 0.3858870 1.0000000 S 1 1 0.1023360 1.0000000 S 1 1 0.0409150 1.0000000 P 4 1 15.5815980 0.0023080 2 10.2112020 -0.0094080 3 4.2944280 0.0724550 4 1.9233260 -0.2925100 P 1 1 0.4718650 1.0000000 P 1 1 0.2073300 1.0000000 P 1 1 0.0613570 1.0000000 P 1 1 0.0230620 1.0000000 D 3 1 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0.1862010 1.0000000 F 1 1 0.0715740 1.0000000 G 1 1 0.5200000 1.0000000 G 1 1 0.2200000 1.0000000'); INSERT INTO "data_tab" VALUES(181,'Pa','PROTACTINIUM S 4 1 11.3479200 0.0253300 2 7.0871300 -0.2229290 3 4.7242860 0.5295950 4 1.9345370 -1.0268620 S 1 1 0.5545750 1.0000000 S 1 1 0.2644890 1.0000000 S 1 1 0.0617110 1.0000000 S 1 1 0.0250180 1.0000000 P 4 1 17.4537430 0.0011780 2 7.6978150 -0.0298850 3 5.1322690 0.0983920 4 2.1613490 -0.2977200 P 1 1 0.5246520 1.0000000 P 1 1 0.2265150 1.0000000 P 1 1 0.0531380 1.0000000 P 1 1 0.0137180 1.0000000 D 3 1 6.7811600 0.0020550 2 2.2671730 -0.0397730 3 0.5406500 0.2501230 D 1 1 0.2566310 1.0000000 D 1 1 0.1138060 1.0000000 D 1 1 0.0471060 1.0000000 F 3 1 2.1660530 0.3672780 2 0.9571210 0.4121360 3 0.4186070 0.3133340 F 1 1 0.1770450 1.0000000 F 1 1 0.0673510 1.0000000 G 1 1 0.7000000 1.0000000 G 1 1 0.2000000 1.0000000'); INSERT INTO "data_tab" VALUES(181,'U','URANIUM S 4 1 12.1252530 0.0219210 2 7.1615450 -0.2251600 3 4.7748360 0.5602990 4 2.0116930 -1.0712090 S 1 1 0.5868520 1.0000000 S 1 1 0.2791150 1.0000000 S 1 1 0.0633720 1.0000000 S 1 1 0.0256110 1.0000000 P 4 1 17.2547700 0.0013980 2 7.7353560 -0.0333460 3 5.1558780 0.1105780 4 2.2416700 -0.3172680 P 1 1 0.5818580 1.0000000 P 1 1 0.2679080 1.0000000 P 1 1 0.0834420 1.0000000 P 1 1 0.0321300 1.0000000 D 3 1 4.8410700 0.0057310 2 2.1601620 -0.0572360 3 0.5756300 0.2388280 D 1 1 0.2781360 1.0000000 D 1 1 0.1248790 1.0000000 D 1 1 0.0515480 1.0000000 F 3 1 2.4364410 0.3550110 2 1.1446820 0.4008460 3 0.5296930 0.3046790 F 1 1 0.2405960 1.0000000 F 1 1 0.1018670 1.0000000 G 1 1 1.1800000 1.0000000 G 1 1 0.4200000 1.0000000'); INSERT INTO "data_tab" VALUES(181,'Np','NEPTUNIUM S 4 1 13.4609030 0.0196310 2 7.7809600 -0.1612090 3 4.6203520 0.5363840 4 2.0983940 -1.1202000 S 1 1 0.6129150 1.0000000 S 1 1 0.2909640 1.0000000 S 1 1 0.0643400 1.0000000 S 1 1 0.0259310 1.0000000 P 4 1 12.7691190 0.0063010 2 8.5105620 -0.0368350 3 5.1851320 0.1181380 4 2.3558060 -0.3255550 P 1 1 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0.0000940 2 115.5466000 0.0048470 3 41.8937000 0.0030290 4 20.7743000 0.0298760 5 7.5304000 0.1666760 6 4.0454000 0.6556890 7 2.1012000 -0.6502730 8 1.0105000 -0.7359750 9 0.3475000 1.3080510 10 0.1083000 -0.8275440 D 10 1 398.0154000 -0.0001620 2 115.5466000 -0.0089490 3 41.8937000 -0.0048640 4 20.7743000 -0.0493360 5 7.5304000 -0.5438050 6 4.0454000 -0.8629140 7 2.1012000 2.8751850 8 1.0105000 -2.4669270 9 0.3475000 1.1858710 10 0.1083000 -0.4920330 F 8 1 127.1863000 0.0030500 2 45.9396000 0.0311450 3 20.6234000 0.1136240 4 9.3855000 0.2401280 5 4.2790000 0.3476520 6 1.8883000 0.3530270 7 0.7748000 0.2450120 8 0.2776000 0.0986780 F 8 1 127.1863000 -0.0030740 2 45.9396000 -0.0303970 3 20.6234000 -0.1140960 4 9.3855000 -0.2300290 5 4.2790000 -0.2882600 6 1.8883000 -0.0168050 7 0.7748000 0.5217250 8 0.2776000 0.4823630 F 8 1 127.1863000 0.0040690 2 45.9396000 0.0331510 3 20.6234000 0.1453970 4 9.3855000 0.2314250 5 4.2790000 0.2819400 6 1.8883000 -0.5330720 7 0.7748000 -0.4803010 8 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1.0000000 P 1 1 0.832120E-01 1.0000000 P 1 1 0.332970E-01 1.0000000 P 1 1 0.123400E-01 1.0000000 D 1 1 0.400000E+01 1.0000000 D 1 1 0.105000E+01 1.0000000 D 1 1 0.400000E+00 1.0000000 D 1 1 0.150000E+00 1.0000000 D 1 1 0.370100E-01 1.0000000 F 1 1 0.120000E+01 1.0000000 F 1 1 0.520000E+00 1.0000000 F 1 1 0.493500E-01 1.0000000 G 1 1 0.130000E+01 1.0000000 G 1 1 0.616800E-01 1.0000000'); INSERT INTO "data_tab" VALUES(309,'C','CARBON S 9 1 0.871410E+05 0.281830E-04 2 0.130520E+05 0.218190E-03 3 0.297060E+04 0.115110E-02 4 0.841460E+03 0.478590E-02 5 0.274590E+03 0.171340E-01 6 0.992150E+02 0.511200E-01 7 0.386940E+02 0.128050E+00 8 0.159110E+02 0.227730E+00 9 0.676680E+01 0.247580E+00 S 9 1 0.130520E+05 0.259300E-05 2 0.297060E+04 -0.309070E-05 3 0.841460E+03 0.122470E-03 4 0.274590E+03 0.254940E-03 5 0.992150E+02 0.512540E-02 6 0.386940E+02 0.219550E-01 7 0.159110E+02 0.141120E+00 8 0.676680E+01 0.413030E+00 9 0.289840E+01 0.827140E+00 S 1 1 0.112460E+01 1.0000000 S 1 1 0.514460E+00 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1.0000000 P 1 1 6.5275000 1.0000000 P 1 1 3.2448000 1.0000000 P 1 1 1.4504000 1.0000000 P 1 1 0.6635000 1.0000000 P 1 1 0.2858000 1.0000000 P 1 1 0.0800000 1.0000000 D 6 1 484.5275000 0.0022860 2 146.6655000 0.0186290 3 56.3779000 0.0740880 4 23.6711000 0.1615540 5 9.4401000 0.3080910 6 4.3712000 0.4483340 D 1 1 1.9580000 1.0000000 D 1 1 0.7272000 1.0000000 D 1 1 0.2460000 1.0000000 D 1 1 0.0744000 1.0000000 F 5 1 175.1559000 0.0041020 2 62.8909000 0.0390860 3 28.3624000 0.1470440 4 13.2478000 0.2710920 5 6.1440000 0.3456650 F 1 1 2.7623000 1.0000000 F 1 1 1.1574000 1.0000000 F 1 1 0.4244000 1.0000000 G 4 1 28.3624000 0.0479050 2 13.2478000 0.1501280 3 6.1440000 0.3229110 4 2.7623000 0.4444940 G 1 1 1.1574000 1.0000000 G 1 1 0.4244000 1.0000000'); CREATE TABLE format_tab(format TEXT); INSERT INTO "format_tab" VALUES('GAMESS-US'); DELETE FROM sqlite_sequence; INSERT INTO "sqlite_sequence" VALUES('basis_tab',550); CREATE VIEW output_tab AS SELECT basis_id, name, description, elt, data FROM basis_tab NATURAL JOIN data_tab; COMMIT;