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(2,'vdz','http://burkatzki.com/pseudos/step1.2.html'); INSERT INTO "basis_tab" VALUES(3,'vtz','http://burkatzki.com/pseudos/step1.2.html'); INSERT INTO "basis_tab" VALUES(4,'vqz','http://burkatzki.com/pseudos/step1.2.html'); INSERT INTO "basis_tab" VALUES(5,'v5z','http://burkatzki.com/pseudos/step1.2.html'); INSERT INTO "basis_tab" VALUES(6,'vdz_ano','http://burkatzki.com/pseudos/step1.2.html'); INSERT INTO "basis_tab" VALUES(7,'vtz_ano','http://burkatzki.com/pseudos/step1.2.html'); INSERT INTO "basis_tab" VALUES(8,'vqz_ano','http://burkatzki.com/pseudos/step1.2.html'); INSERT INTO "basis_tab" VALUES(9,'v5z_ano','http://burkatzki.com/pseudos/step1.2.html'); 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(2,'H','Element Symbol: H Basis-namevdz: vdz HF-Energy: -0.499045 CCSD(T)-Energy: -0.499045 9 s 0.013000 0.000706 s 0.029900 -0.002119 s 0.068770 0.057693 s 0.158170 0.230695 s 0.363792 0.277612 s 0.836721 0.169833 s 1.924458 0.097443 s 4.426254 0.029966 s 10.180385 -0.000452 1 s 0.170483 1.000000 9 p 0.003000 0.001242 p 0.007800 -0.000913 p 0.020281 -0.000054 p 0.052730 -0.000238 p 0.137097 -0.011530 p 0.356451 -0.018235 p 0.926774 -0.013929 p 2.409612 -0.009395 p 6.264991 -0.000347 '); INSERT INTO "data_tab" VALUES(3,'H','Element Symbol: H Basis-namevtz: vtz HF-Energy: -0.499043 CCSD(T)-Energy: -0.499043 9 s 0.013000 0.000706 s 0.029900 -0.002119 s 0.068770 0.057693 s 0.158170 0.230695 s 0.363792 0.277612 s 0.836721 0.169833 s 1.924458 0.097443 s 4.426254 0.029966 s 10.180385 -0.000452 1 s 0.170654 1.000000 9 p 0.003000 0.001242 p 0.007800 -0.000913 p 0.020281 -0.000054 p 0.052730 -0.000238 p 0.137097 -0.011530 p 0.356451 -0.018235 p 0.926774 -0.013929 p 2.409612 -0.009395 p 6.264991 -0.000347 1 p 0.495357 1.000000 1 d 0.955745 1.000000 '); INSERT INTO "data_tab" VALUES(4,'H','Element Symbol: H Basis-namevqz: vqz HF-Energy: -0.499916 CCSD(T)-Energy: -0.499916 9 s 0.013000 0.000706 s 0.029900 -0.002119 s 0.068770 0.057693 s 0.158170 0.230695 s 0.363792 0.277612 s 0.836721 0.169833 s 1.924458 0.097443 s 4.426254 0.029966 s 10.180385 -0.000452 1 s 0.120599 1.000000 1 s 0.404783 1.000000 1 s 0.715129 1.000000 9 p 0.003000 0.001242 p 0.007800 -0.000913 p 0.020281 -0.000054 p 0.052730 -0.000238 p 0.137097 -0.011530 p 0.356451 -0.018235 p 0.926774 -0.013929 p 2.409612 -0.009395 p 6.264991 -0.000347 1 p 0.774536 1.000000 1 p 0.263038 1.000000 1 d 2.315883 1.000000 1 d 0.636656 1.000000 1 f 1.130819 1.000000 '); INSERT INTO "data_tab" VALUES(5,'H','Element Symbol: H Basis-namev5z: v5z HF-Energy: -0.499905 CCSD(T)-Energy: -0.499905 9 s 0.013000 0.000706 s 0.029900 -0.002119 s 0.068770 0.057693 s 0.158170 0.230695 s 0.363792 0.277612 s 0.836721 0.169833 s 1.924458 0.097443 s 4.426254 0.029966 s 10.180385 -0.000452 1 s 0.122344 1.000000 1 s 0.402892 1.000000 1 s 0.715047 1.000000 1 s 1.379838 1.000000 9 p 0.003000 0.001242 p 0.007800 -0.000913 p 0.020281 -0.000054 p 0.052730 -0.000238 p 0.137097 -0.011530 p 0.356451 -0.018235 p 0.926774 -0.013929 p 2.409612 -0.009395 p 6.264991 -0.000347 1 p 0.784765 1.000000 1 p 0.173606 1.000000 1 p 0.513665 1.000000 1 d 2.917388 1.000000 1 d 0.466379 1.000000 1 d 1.132171 1.000000 1 f 1.649608 1.000000 1 f 0.793185 1.000000 1 g 1.606813 1.000000'); INSERT INTO "data_tab" VALUES(2,'He','Element Symbol: He Basis-namevdz: vdz HF-Energy: -2.861932 CCSD(T)-Energy: -2.878934 9 s 0.077786 0.012425 s 0.161528 0.128251 s 0.335425 0.282221 s 0.696535 0.292427 s 1.446408 0.215025 s 3.003576 0.125450 s 6.237154 0.064912 s 12.951926 0.038892 s 26.895662 0.002531 1 s 0.321750 1.000000 8 p 0.228528 -0.000116 p 0.422019 2.116950 p 0.779333 -2.182954 p 1.439180 1.545850 p 2.657706 -0.879477 p 4.907934 0.469710 p 9.063386 -0.224631 p 16.737180 0.098422 '); INSERT INTO "data_tab" VALUES(3,'He','Element Symbol: He Basis-namevtz: vtz HF-Energy: -2.861932 CCSD(T)-Energy: -2.898728 9 s 0.077786 0.012425 s 0.161528 0.128251 s 0.335425 0.282221 s 0.696535 0.292427 s 1.446408 0.215025 s 3.003576 0.125450 s 6.237154 0.064912 s 12.951926 0.038892 s 26.895662 0.002531 1 s 0.667868 1.000000 1 s 0.224485 1.000000 8 p 0.228528 -0.000116 p 0.422019 2.116950 p 0.779333 -2.182954 p 1.439180 1.545850 p 2.657706 -0.879477 p 4.907934 0.469710 p 9.063386 -0.224631 p 16.737180 0.098422 1 p 1.492028 1.000000 1 d 1.913792 1.000000 '); INSERT INTO "data_tab" VALUES(4,'He','Element Symbol: He Basis-namevqz: vqz HF-Energy: -2.861932 CCSD(T)-Energy: -2.902207 9 s 0.077786 0.012425 s 0.161528 0.128251 s 0.335425 0.282221 s 0.696535 0.292427 s 1.446408 0.215025 s 3.003576 0.125450 s 6.237154 0.064912 s 12.951926 0.038892 s 26.895662 0.002531 1 s 0.937228 1.000000 1 s 1.223567 1.000000 1 s 0.229163 1.000000 8 p 0.228528 -0.000116 p 0.422019 2.116950 p 0.779333 -2.182954 p 1.439180 1.545850 p 2.657706 -0.879477 p 4.907934 0.469710 p 9.063386 -0.224631 p 16.737180 0.098422 1 p 3.888767 1.000000 1 p 1.015492 1.000000 1 d 0.939402 1.000000 1 d 3.054371 1.000000 1 f 1.021427 1.000000 '); INSERT INTO "data_tab" VALUES(5,'He','Element Symbol: He Basis-namev5z: v5z HF-Energy: -2.861932 CCSD(T)-Energy: -2.902789 9 s 0.077786 0.012425 s 0.161528 0.128251 s 0.335425 0.282221 s 0.696535 0.292427 s 1.446408 0.215025 s 3.003576 0.125450 s 6.237154 0.064912 s 12.951926 0.038892 s 26.895662 0.002531 1 s 1.324312 1.000000 1 s 0.876976 1.000000 1 s 0.294075 1.000000 1 s 0.116506 1.000000 8 p 0.228528 -0.000116 p 0.422019 2.116950 p 0.779333 -2.182954 p 1.439180 1.545850 p 2.657706 -0.879477 p 4.907934 0.469710 p 9.063386 -0.224631 p 16.737180 0.098422 1 p 6.741009 1.000000 1 p 2.647340 1.000000 1 p 0.893850 1.000000 1 d 1.842278 1.000000 1 d 2.175208 1.000000 1 d 4.285515 1.000000 1 f 0.749734 1.000000 1 f 1.632074 1.000000 1 g 0.623669 1.000000'); INSERT INTO "data_tab" VALUES(2,'Li','Element Symbol: Li Basis-namevdz: vdz HF-Energy: -0.195611 CCSD(T)-Energy: -0.195611 9 s 0.010125 0.007841 s 0.023437 0.258118 s 0.054251 0.423307 s 0.125581 0.167825 s 0.290697 -0.068332 s 0.672909 -0.119269 s 1.557659 0.007736 s 3.605689 0.003630 s 8.346494 -0.000646 1 s 0.103721 1.000000 9 p 0.018300 -0.005906 p 0.031699 -0.031422 p 0.054908 -0.043628 p 0.095111 -0.016781 p 0.164751 -0.078594 p 0.285379 0.015562 p 0.494330 -0.030830 p 0.856273 0.006185 p 1.483225 -0.008621 1 p 0.070391 1.000000 1 d 0.110720 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Li','Element Symbol: Li Basis-namevtz: vtz HF-Energy: -0.196093 CCSD(T)-Energy: -0.196093 9 s 0.010125 0.007841 s 0.023437 0.258118 s 0.054251 0.423307 s 0.125581 0.167825 s 0.290697 -0.068332 s 0.672909 -0.119269 s 1.557659 0.007736 s 3.605689 0.003630 s 8.346494 -0.000646 1 s 0.026170 1.000000 1 s 0.132259 1.000000 9 p 0.018300 -0.005906 p 0.031699 -0.031422 p 0.054908 -0.043628 p 0.095111 -0.016781 p 0.164751 -0.078594 p 0.285379 0.015562 p 0.494330 -0.030830 p 0.856273 0.006185 p 1.483225 -0.008621 1 p 0.052959 1.000000 1 p 0.110075 1.000000 1 d 0.067795 1.000000 1 d 0.177140 1.000000 1 f 0.180758 1.000000 '); INSERT INTO "data_tab" VALUES(4,'Li','Element Symbol: Li Basis-namevqz: vqz HF-Energy: -0.196307 CCSD(T)-Energy: -0.196307 9 s 0.010125 0.007841 s 0.023437 0.258118 s 0.054251 0.423307 s 0.125581 0.167825 s 0.290697 -0.068332 s 0.672909 -0.119269 s 1.557659 0.007736 s 3.605689 0.003630 s 8.346494 -0.000646 1 s 0.024834 1.000000 1 s 0.109770 1.000000 1 s 0.519693 1.000000 9 p 0.018300 -0.005906 p 0.031699 -0.031422 p 0.054908 -0.043628 p 0.095111 -0.016781 p 0.164751 -0.078594 p 0.285379 0.015562 p 0.494330 -0.030830 p 0.856273 0.006185 p 1.483225 -0.008621 1 p 0.070662 1.000000 1 p 0.115823 1.000000 1 p 0.207505 1.000000 1 d 0.029817 1.000000 1 d 0.089353 1.000000 1 d 0.214990 1.000000 1 f 0.099930 1.000000 1 f 0.240323 1.000000 1 g 0.199570 1.000000 '); INSERT INTO "data_tab" VALUES(5,'Li','Element Symbol: Li Basis-namev5z: v5z HF-Energy: -0.196315 CCSD(T)-Energy: -0.196315 9 s 0.010125 0.007841 s 0.023437 0.258118 s 0.054251 0.423307 s 0.125581 0.167825 s 0.290697 -0.068332 s 0.672909 -0.119269 s 1.557659 0.007736 s 3.605689 0.003630 s 8.346494 -0.000646 1 s 0.025010 1.000000 1 s 0.104917 1.000000 1 s 0.670681 1.000000 1 s 1.004881 1.000000 9 p 0.018300 -0.005906 p 0.031699 -0.031422 p 0.054908 -0.043628 p 0.095111 -0.016781 p 0.164751 -0.078594 p 0.285379 0.015562 p 0.494330 -0.030830 p 0.856273 0.006185 p 1.483225 -0.008621 1 p 0.081041 1.000000 1 p 0.138470 1.000000 1 p 0.404355 1.000000 1 p 0.806184 1.000000 1 d 0.065574 1.000000 1 d 0.835758 1.000000 1 d 0.161784 1.000000 1 d 0.986350 1.000000 1 f 0.152988 1.000000 1 f 0.420698 1.000000 1 f 0.856748 1.000000 1 g 0.254479 1.000000 1 g 0.457496 1.000000'); INSERT INTO "data_tab" VALUES(2,'Be','Element Symbol: Be Basis-namevdz: vdz HF-Energy: -0.956838 CCSD(T)-Energy: -1.000525 9 s 0.030068 0.025105 s 0.054002 0.178890 s 0.096986 0.263939 s 0.174186 0.435946 s 0.312836 -0.008188 s 0.561850 0.049509 s 1.009077 -0.114576 s 1.812290 -0.067207 s 3.254852 0.017250 1 s 0.239392 1.000000 9 p 0.015064 0.735052 p 0.028584 -0.476214 p 0.054236 0.564806 p 0.102911 -0.108575 p 0.195269 0.233862 p 0.370513 -0.009003 p 0.703030 0.067510 p 1.333967 -0.002868 p 2.531139 0.017869 1 p 0.222969 1.000000 1 d 0.217340 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Be','Element Symbol: Be Basis-namevtz: vtz HF-Energy: -0.961729 CCSD(T)-Energy: -1.008436 9 s 0.030068 0.025105 s 0.054002 0.178890 s 0.096986 0.263939 s 0.174186 0.435946 s 0.312836 -0.008188 s 0.561850 0.049509 s 1.009077 -0.114576 s 1.812290 -0.067207 s 3.254852 0.017250 1 s 0.060913 1.000000 1 s 0.357735 1.000000 9 p 0.015064 0.735052 p 0.028584 -0.476214 p 0.054236 0.564806 p 0.102911 -0.108575 p 0.195269 0.233862 p 0.370513 -0.009003 p 0.703030 0.067510 p 1.333967 -0.002868 p 2.531139 0.017869 1 p 0.728274 1.000000 1 p 0.165173 1.000000 1 d 0.113241 1.000000 1 d 0.305198 1.000000 1 f 0.272841 1.000000 '); INSERT INTO "data_tab" VALUES(4,'Be','Element Symbol: Be Basis-namevqz: vqz HF-Energy: -0.961844 CCSD(T)-Energy: -1.009630 9 s 0.030068 0.025105 s 0.054002 0.178890 s 0.096986 0.263939 s 0.174186 0.435946 s 0.312836 -0.008188 s 0.561850 0.049509 s 1.009077 -0.114576 s 1.812290 -0.067207 s 3.254852 0.017250 1 s 0.012287 1.000000 1 s 0.175341 1.000000 1 s 1.244398 1.000000 9 p 0.015064 0.735052 p 0.028584 -0.476214 p 0.054236 0.564806 p 0.102911 -0.108575 p 0.195269 0.233862 p 0.370513 -0.009003 p 0.703030 0.067510 p 1.333967 -0.002868 p 2.531139 0.017869 1 p 0.317061 1.000000 1 p 1.585739 1.000000 1 p 0.108346 1.000000 1 d 0.125228 1.000000 1 d 0.801065 1.000000 1 d 0.301656 1.000000 1 f 0.153439 1.000000 1 f 0.377536 1.000000 1 g 0.338801 1.000000 '); INSERT INTO "data_tab" VALUES(5,'Be','Element Symbol: Be Basis-namev5z: v5z HF-Energy: -0.961942 CCSD(T)-Energy: -1.009970 9 s 0.030068 0.025105 s 0.054002 0.178890 s 0.096986 0.263939 s 0.174186 0.435946 s 0.312836 -0.008188 s 0.561850 0.049509 s 1.009077 -0.114576 s 1.812290 -0.067207 s 3.254852 0.017250 1 s 0.012778 1.000000 1 s 0.108807 1.000000 1 s 0.216157 1.000000 1 s 1.207279 1.000000 9 p 0.015064 0.735052 p 0.028584 -0.476214 p 0.054236 0.564806 p 0.102911 -0.108575 p 0.195269 0.233862 p 0.370513 -0.009003 p 0.703030 0.067510 p 1.333967 -0.002868 p 2.531139 0.017869 1 p 0.072561 1.000000 1 p 0.501715 1.000000 1 p 0.184471 1.000000 1 p 2.128672 1.000000 1 d 0.090175 1.000000 1 d 0.743653 1.000000 1 d 0.238494 1.000000 1 d 0.933001 1.000000 1 f 0.129140 1.000000 1 f 0.299150 1.000000 1 f 0.739023 1.000000 1 g 0.316080 1.000000 1 g 0.863442 1.000000 1 h 0.409080 1.000000'); INSERT INTO "data_tab" VALUES(2,'B','Element Symbol: B Basis-namevdz: vdz HF-Energy: -2.543713 CCSD(T)-Energy: -2.608984 9 s 0.040569 0.032031 s 0.081044 0.243317 s 0.161898 0.434636 s 0.323418 0.329581 s 0.646080 0.111875 s 1.290648 -0.078699 s 2.578276 -0.098781 s 5.150520 0.016164 s 10.288990 -0.000016 1 s 0.082513 1.000000 9 p 0.029207 0.019909 p 0.058408 0.141775 p 0.116803 0.294463 p 0.233582 0.309028 p 0.467115 0.236378 p 0.934132 0.131317 p 1.868068 0.066454 p 3.735743 0.021248 p 7.470701 0.002837 1 p 0.086803 1.000000 1 d 0.349879 1.000000 '); INSERT INTO "data_tab" VALUES(3,'B','Element Symbol: B Basis-namevtz: vtz HF-Energy: -2.543736 CCSD(T)-Energy: -2.617159 9 s 0.040569 0.032031 s 0.081044 0.243317 s 0.161898 0.434636 s 0.323418 0.329581 s 0.646080 0.111875 s 1.290648 -0.078699 s 2.578276 -0.098781 s 5.150520 0.016164 s 10.288990 -0.000016 1 s 0.626026 1.000000 1 s 0.092094 1.000000 9 p 0.029207 0.019909 p 0.058408 0.141775 p 0.116803 0.294463 p 0.233582 0.309028 p 0.467115 0.236378 p 0.934132 0.131317 p 1.868068 0.066454 p 3.735743 0.021248 p 7.470701 0.002837 1 p 0.082056 1.000000 1 p 0.235016 1.000000 1 d 0.207316 1.000000 1 d 0.699153 1.000000 1 f 0.478872 1.000000 '); INSERT INTO "data_tab" VALUES(4,'B','Element Symbol: B Basis-namevqz: vqz HF-Energy: -2.543755 CCSD(T)-Energy: -2.618972 9 s 0.040569 0.032031 s 0.081044 0.243317 s 0.161898 0.434636 s 0.323418 0.329581 s 0.646080 0.111875 s 1.290648 -0.078699 s 2.578276 -0.098781 s 5.150520 0.016164 s 10.288990 -0.000016 1 s 0.082968 1.000000 1 s 0.305133 1.000000 1 s 0.422217 1.000000 9 p 0.029207 0.019909 p 0.058408 0.141775 p 0.116803 0.294463 p 0.233582 0.309028 p 0.467115 0.236378 p 0.934132 0.131317 p 1.868068 0.066454 p 3.735743 0.021248 p 7.470701 0.002837 1 p 0.066445 1.000000 1 p 0.196614 1.000000 1 p 0.447031 1.000000 1 d 0.149100 1.000000 1 d 0.410733 1.000000 1 d 1.142614 1.000000 1 f 0.315902 1.000000 1 f 0.870011 1.000000 1 g 0.710746 1.000000 '); INSERT INTO "data_tab" VALUES(5,'B','Element Symbol: B Basis-namev5z: v5z HF-Energy: -2.543756 CCSD(T)-Energy: -2.619409 9 s 0.040569 0.032031 s 0.081044 0.243317 s 0.161898 0.434636 s 0.323418 0.329581 s 0.646080 0.111875 s 1.290648 -0.078699 s 2.578276 -0.098781 s 5.150520 0.016164 s 10.288990 -0.000016 1 s 0.070664 1.000000 1 s 0.170896 1.000000 1 s 0.375720 1.000000 1 s 0.614105 1.000000 9 p 0.029207 0.019909 p 0.058408 0.141775 p 0.116803 0.294463 p 0.233582 0.309028 p 0.467115 0.236378 p 0.934132 0.131317 p 1.868068 0.066454 p 3.735743 0.021248 p 7.470701 0.002837 1 p 0.057917 1.000000 1 p 0.143772 1.000000 1 p 0.436327 1.000000 1 p 0.566611 1.000000 1 d 0.134838 1.000000 1 d 0.380163 1.000000 1 d 0.808233 1.000000 1 d 1.022256 1.000000 1 f 0.272717 1.000000 1 f 0.799174 1.000000 1 f 1.002171 1.000000 1 g 0.486131 1.000000 1 g 0.824366 1.000000 1 h 0.632779 1.000000'); INSERT INTO "data_tab" VALUES(2,'C','Element Symbol: C Basis-namevdz: vdz HF-Energy: -5.328990 CCSD(T)-Energy: -5.409230 9 s 0.051344 0.013991 s 0.102619 0.169852 s 0.205100 0.397529 s 0.409924 0.380369 s 0.819297 0.180113 s 1.637494 -0.033512 s 3.272791 -0.121499 s 6.541187 0.015176 s 13.073594 -0.000705 1 s 0.127852 1.000000 9 p 0.029281 0.001787 p 0.058547 0.050426 p 0.117063 0.191634 p 0.234064 0.302667 p 0.468003 0.289868 p 0.935757 0.210979 p 1.871016 0.112024 p 3.741035 0.054425 p 7.480076 0.021931 1 p 0.149161 1.000000 1 d 0.561161 1.000000 '); INSERT INTO "data_tab" VALUES(3,'C','Element Symbol: C Basis-namevtz: vtz HF-Energy: -5.329011 CCSD(T)-Energy: -5.427351 9 s 0.051344 0.013991 s 0.102619 0.169852 s 0.205100 0.397529 s 0.409924 0.380369 s 0.819297 0.180113 s 1.637494 -0.033512 s 3.272791 -0.121499 s 6.541187 0.015176 s 13.073594 -0.000705 1 s 0.921552 1.000000 1 s 0.132800 1.000000 9 p 0.029281 0.001787 p 0.058547 0.050426 p 0.117063 0.191634 p 0.234064 0.302667 p 0.468003 0.289868 p 0.935757 0.210979 p 1.871016 0.112024 p 3.741035 0.054425 p 7.480076 0.021931 1 p 0.126772 1.000000 1 p 0.376742 1.000000 1 d 0.329486 1.000000 1 d 1.141611 1.000000 1 f 0.773485 1.000000 '); INSERT INTO "data_tab" VALUES(4,'C','Element Symbol: C Basis-namevqz: vqz HF-Energy: -5.329029 CCSD(T)-Energy: -5.431486 9 s 0.051344 0.013991 s 0.102619 0.169852 s 0.205100 0.397529 s 0.409924 0.380369 s 0.819297 0.180113 s 1.637494 -0.033512 s 3.272791 -0.121499 s 6.541187 0.015176 s 13.073594 -0.000705 1 s 0.109576 1.000000 1 s 0.846879 1.000000 1 s 0.269659 1.000000 9 p 0.029281 0.001787 p 0.058547 0.050426 p 0.117063 0.191634 p 0.234064 0.302667 p 0.468003 0.289868 p 0.935757 0.210979 p 1.871016 0.112024 p 3.741035 0.054425 p 7.480076 0.021931 1 p 0.105389 1.000000 1 p 0.313254 1.000000 1 p 0.804681 1.000000 1 d 0.240171 1.000000 1 d 0.684884 1.000000 1 d 2.013760 1.000000 1 f 0.457302 1.000000 1 f 1.324930 1.000000 1 g 1.034180 1.000000 '); INSERT INTO "data_tab" VALUES(5,'C','Element Symbol: C Basis-namev5z: v5z HF-Energy: -5.329030 CCSD(T)-Energy: -5.432494 9 s 0.051344 0.013991 s 0.102619 0.169852 s 0.205100 0.397529 s 0.409924 0.380369 s 0.819297 0.180113 s 1.637494 -0.033512 s 3.272791 -0.121499 s 6.541187 0.015176 s 13.073594 -0.000705 1 s 0.098302 1.000000 1 s 0.232034 1.000000 1 s 0.744448 1.000000 1 s 1.009914 1.000000 9 p 0.029281 0.001787 p 0.058547 0.050426 p 0.117063 0.191634 p 0.234064 0.302667 p 0.468003 0.289868 p 0.935757 0.210979 p 1.871016 0.112024 p 3.741035 0.054425 p 7.480076 0.021931 1 p 0.084047 1.000000 1 p 0.216618 1.000000 1 p 0.576869 1.000000 1 p 1.006252 1.000000 1 d 0.206619 1.000000 1 d 0.606933 1.000000 1 d 1.001526 1.000000 1 d 1.504882 1.000000 1 f 0.400573 1.000000 1 f 1.099564 1.000000 1 f 1.501091 1.000000 1 g 0.797648 1.000000 1 g 1.401343 1.000000 1 h 1.001703 1.000000'); INSERT INTO "data_tab" VALUES(2,'N','Element Symbol: N Basis-namevdz: vdz HF-Energy: -9.668376 CCSD(T)-Energy: -9.760290 9 s 0.098869 0.067266 s 0.211443 0.334290 s 0.452197 0.454257 s 0.967080 0.267861 s 2.068221 0.000248 s 4.423150 -0.132606 s 9.459462 0.014437 s 20.230246 0.000359 s 43.264919 -0.000094 1 s 0.175123 1.000000 9 p 0.073234 0.035758 p 0.145867 0.153945 p 0.290535 0.277656 p 0.578683 0.297676 p 1.152612 0.234403 p 2.295756 0.140321 p 4.572652 0.067219 p 9.107739 0.031594 p 18.140657 0.003301 1 p 0.223042 1.000000 1 d 0.832058 1.000000 '); INSERT INTO "data_tab" VALUES(3,'N','Element Symbol: N Basis-namevtz: vtz HF-Energy: -9.668376 CCSD(T)-Energy: -9.790402 9 s 0.098869 0.067266 s 0.211443 0.334290 s 0.452197 0.454257 s 0.967080 0.267861 s 2.068221 0.000248 s 4.423150 -0.132606 s 9.459462 0.014437 s 20.230246 0.000359 s 43.264919 -0.000094 1 s 1.202183 1.000000 1 s 0.163243 1.000000 9 p 0.073234 0.035758 p 0.145867 0.153945 p 0.290535 0.277656 p 0.578683 0.297676 p 1.152612 0.234403 p 2.295756 0.140321 p 4.572652 0.067219 p 9.107739 0.031594 p 18.140657 0.003301 1 p 0.170104 1.000000 1 p 0.517547 1.000000 1 d 0.483567 1.000000 1 d 1.712416 1.000000 1 f 1.093097 1.000000 '); INSERT INTO "data_tab" VALUES(4,'N','Element Symbol: N Basis-namevqz: vqz HF-Energy: -9.668376 CCSD(T)-Energy: -9.797800 9 s 0.098869 0.067266 s 0.211443 0.334290 s 0.452197 0.454257 s 0.967080 0.267861 s 2.068221 0.000248 s 4.423150 -0.132606 s 9.459462 0.014437 s 20.230246 0.000359 s 43.264919 -0.000094 1 s 0.135764 1.000000 1 s 0.310826 1.000000 1 s 1.625001 1.000000 9 p 0.073234 0.035758 p 0.145867 0.153945 p 0.290535 0.277656 p 0.578683 0.297676 p 1.152612 0.234403 p 2.295756 0.140321 p 4.572652 0.067219 p 9.107739 0.031594 p 18.140657 0.003301 1 p 0.140736 1.000000 1 p 0.413103 1.000000 1 p 1.020750 1.000000 1 d 0.346233 1.000000 1 d 1.009895 1.000000 1 d 3.028459 1.000000 1 f 0.691129 1.000000 1 f 2.024747 1.000000 1 g 1.357512 1.000000 '); INSERT INTO "data_tab" VALUES(5,'N','Element Symbol: N Basis-namev5z: v5z HF-Energy: -9.668376 CCSD(T)-Energy: -9.799731 9 s 0.098869 0.067266 s 0.211443 0.334290 s 0.452197 0.454257 s 0.967080 0.267861 s 2.068221 0.000248 s 4.423150 -0.132606 s 9.459462 0.014437 s 20.230246 0.000359 s 43.264919 -0.000094 1 s 0.115320 1.000000 1 s 0.286632 1.000000 1 s 0.702011 1.000000 1 s 1.532221 1.000000 9 p 0.073234 0.035758 p 0.145867 0.153945 p 0.290535 0.277656 p 0.578683 0.297676 p 1.152612 0.234403 p 2.295756 0.140321 p 4.572652 0.067219 p 9.107739 0.031594 p 18.140657 0.003301 1 p 0.120601 1.000000 1 p 0.322697 1.000000 1 p 0.978538 1.000000 1 p 1.272759 1.000000 1 d 0.305579 1.000000 1 d 0.891436 1.000000 1 d 1.542532 1.000000 1 d 2.798122 1.000000 1 f 0.587676 1.000000 1 f 1.592967 1.000000 1 f 2.443045 1.000000 1 g 1.038637 1.000000 1 g 2.842018 1.000000 1 h 2.272542 1.000000'); INSERT INTO "data_tab" VALUES(2,'O','Element Symbol: O Basis-namevdz: vdz HF-Energy: -15.705942 CCSD(T)-Energy: -15.829790 9 s 0.125346 0.055741 s 0.268022 0.304848 s 0.573098 0.453752 s 1.225429 0.295926 s 2.620277 0.019567 s 5.602818 -0.128627 s 11.980245 0.012024 s 25.616801 0.000407 s 54.775216 -0.000076 1 s 0.258551 1.000000 9 p 0.083598 0.044958 p 0.167017 0.150175 p 0.333673 0.255999 p 0.666627 0.281879 p 1.331816 0.242835 p 2.660761 0.161134 p 5.315785 0.082308 p 10.620108 0.039899 p 21.217318 0.004679 1 p 0.267865 1.000000 1 d 1.232753 1.000000 '); INSERT INTO "data_tab" VALUES(3,'O','Element Symbol: O Basis-namevtz: vtz HF-Energy: -15.708001 CCSD(T)-Energy: -15.882045 9 s 0.125346 0.055741 s 0.268022 0.304848 s 0.573098 0.453752 s 1.225429 0.295926 s 2.620277 0.019567 s 5.602818 -0.128627 s 11.980245 0.012024 s 25.616801 0.000407 s 54.775216 -0.000076 1 s 1.686633 1.000000 1 s 0.237997 1.000000 9 p 0.083598 0.044958 p 0.167017 0.150175 p 0.333673 0.255999 p 0.666627 0.281879 p 1.331816 0.242835 p 2.660761 0.161134 p 5.315785 0.082308 p 10.620108 0.039899 p 21.217318 0.004679 1 p 0.184696 1.000000 1 p 0.600621 1.000000 1 d 0.669340 1.000000 1 d 2.404278 1.000000 1 f 1.423104 1.000000 '); INSERT INTO "data_tab" VALUES(4,'O','Element Symbol: O Basis-namevqz: vqz HF-Energy: -15.708382 CCSD(T)-Energy: -15.897021 9 s 0.125346 0.055741 s 0.268022 0.304848 s 0.573098 0.453752 s 1.225429 0.295926 s 2.620277 0.019567 s 5.602818 -0.128627 s 11.980245 0.012024 s 25.616801 0.000407 s 54.775216 -0.000076 1 s 0.224380 1.000000 1 s 0.843157 1.000000 1 s 1.351771 1.000000 9 p 0.083598 0.044958 p 0.167017 0.150175 p 0.333673 0.255999 p 0.666627 0.281879 p 1.331816 0.242835 p 2.660761 0.161134 p 5.315785 0.082308 p 10.620108 0.039899 p 21.217318 0.004679 1 p 0.148562 1.000000 1 p 0.452364 1.000000 1 p 1.106737 1.000000 1 d 0.455711 1.000000 1 d 1.344331 1.000000 1 d 4.008867 1.000000 1 f 0.876289 1.000000 1 f 2.763115 1.000000 1 g 1.759081 1.000000 '); INSERT INTO "data_tab" VALUES(5,'O','Element Symbol: O Basis-namev5z: v5z HF-Energy: -15.708447 CCSD(T)-Energy: -15.901660 9 s 0.125346 0.055741 s 0.268022 0.304848 s 0.573098 0.453752 s 1.225429 0.295926 s 2.620277 0.019567 s 5.602818 -0.128627 s 11.980245 0.012024 s 25.616801 0.000407 s 54.775216 -0.000076 1 s 0.160664 1.000000 1 s 0.384526 1.000000 1 s 0.935157 1.000000 1 s 1.937532 1.000000 9 p 0.083598 0.044958 p 0.167017 0.150175 p 0.333673 0.255999 p 0.666627 0.281879 p 1.331816 0.242835 p 2.660761 0.161134 p 5.315785 0.082308 p 10.620108 0.039899 p 21.217318 0.004679 1 p 0.130580 1.000000 1 p 0.372674 1.000000 1 p 1.178227 1.000000 1 p 1.589967 1.000000 1 d 0.401152 1.000000 1 d 1.174596 1.000000 1 d 2.823972 1.000000 1 d 4.292433 1.000000 1 f 0.708666 1.000000 1 f 2.006788 1.000000 1 f 3.223721 1.000000 1 g 1.207657 1.000000 1 g 3.584495 1.000000 1 h 2.615818 1.000000'); INSERT INTO "data_tab" VALUES(2,'F','Element Symbol: F Basis-namevdz: vdz HF-Energy: -23.937019 CCSD(T)-Energy: -24.092506 9 s 0.172723 0.070240 s 0.364875 0.311088 s 0.770795 0.444675 s 1.628295 0.287011 s 3.439757 0.018759 s 7.266451 -0.128608 s 15.350300 0.009104 s 32.427348 0.000810 s 68.502433 -0.000133 1 s 0.344569 1.000000 9 p 0.101001 0.035321 p 0.204414 0.136924 p 0.413707 0.249353 p 0.837289 0.286620 p 1.694565 0.254541 p 3.429580 0.169572 p 6.941026 0.088542 p 14.047737 0.039843 p 28.430799 0.003378 1 p 0.364831 1.000000 1 d 1.722479 1.000000 '); INSERT INTO "data_tab" VALUES(3,'F','Element Symbol: F Basis-namevtz: vtz HF-Energy: -23.938224 CCSD(T)-Energy: -24.163204 9 s 0.172723 0.070240 s 0.364875 0.311088 s 0.770795 0.444675 s 1.628295 0.287011 s 3.439757 0.018759 s 7.266451 -0.128608 s 15.350300 0.009104 s 32.427348 0.000810 s 68.502433 -0.000133 1 s 2.289795 1.000000 1 s 0.327712 1.000000 9 p 0.101001 0.035321 p 0.204414 0.136924 p 0.413707 0.249353 p 0.837289 0.286620 p 1.694565 0.254541 p 3.429580 0.169572 p 6.941026 0.088542 p 14.047737 0.039843 p 28.430799 0.003378 1 p 0.243660 1.000000 1 p 0.804181 1.000000 1 d 0.900763 1.000000 1 d 3.297425 1.000000 1 f 1.859274 1.000000 '); INSERT INTO "data_tab" VALUES(4,'F','Element Symbol: F Basis-namevqz: vqz HF-Energy: -23.938443 CCSD(T)-Energy: -24.185741 9 s 0.172723 0.070240 s 0.364875 0.311088 s 0.770795 0.444675 s 1.628295 0.287011 s 3.439757 0.018759 s 7.266451 -0.128608 s 15.350300 0.009104 s 32.427348 0.000810 s 68.502433 -0.000133 1 s 0.294345 1.000000 1 s 1.048012 1.000000 1 s 1.705653 1.000000 9 p 0.101001 0.035321 p 0.204414 0.136924 p 0.413707 0.249353 p 0.837289 0.286620 p 1.694565 0.254541 p 3.429580 0.169572 p 6.941026 0.088542 p 14.047737 0.039843 p 28.430799 0.003378 1 p 0.205805 1.000000 1 p 0.647240 1.000000 1 p 1.650688 1.000000 1 d 0.587354 1.000000 1 d 1.724392 1.000000 1 d 4.998085 1.000000 1 f 1.178147 1.000000 1 f 3.694285 1.000000 1 g 2.406583 1.000000 '); INSERT INTO "data_tab" VALUES(5,'F','Element Symbol: F Basis-namev5z: v5z HF-Energy: -23.938492 CCSD(T)-Energy: -24.192900 9 s 0.172723 0.070240 s 0.364875 0.311088 s 0.770795 0.444675 s 1.628295 0.287011 s 3.439757 0.018759 s 7.266451 -0.128608 s 15.350300 0.009104 s 32.427348 0.000810 s 68.502433 -0.000133 1 s 0.191146 1.000000 1 s 0.459697 1.000000 1 s 1.250265 1.000000 1 s 2.542428 1.000000 9 p 0.101001 0.035321 p 0.204414 0.136924 p 0.413707 0.249353 p 0.837289 0.286620 p 1.694565 0.254541 p 3.429580 0.169572 p 6.941026 0.088542 p 14.047737 0.039843 p 28.430799 0.003378 1 p 0.170574 1.000000 1 p 0.489019 1.000000 1 p 1.505085 1.000000 1 p 2.018698 1.000000 1 d 0.517711 1.000000 1 d 1.523306 1.000000 1 d 3.901897 1.000000 1 d 5.603581 1.000000 1 f 0.981494 1.000000 1 f 2.950321 1.000000 1 f 4.297889 1.000000 1 g 1.638933 1.000000 1 g 4.619953 1.000000 1 h 2.963127 1.000000'); INSERT INTO "data_tab" VALUES(2,'Ne','Element Symbol: Ne Basis-namevdz: vdz HF-Energy: -34.709059 CCSD(T)-Energy: -34.900305 9 s 0.205835 0.057514 s 0.391384 0.215776 s 0.744196 0.374799 s 1.415048 0.326313 s 2.690638 0.166383 s 5.116103 -0.039149 s 9.727994 -0.085909 s 18.497256 0.006816 s 35.171534 0.000206 1 s 0.455383 1.000000 9 p 0.121772 0.029943 p 0.238248 0.114200 p 0.466136 0.219618 p 0.912002 0.268864 p 1.784344 0.256932 p 3.491095 0.191378 p 6.830378 0.112176 p 13.363732 0.063317 p 26.146332 0.008057 1 p 0.472224 1.000000 1 d 2.371533 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Ne','Element Symbol: Ne Basis-namevtz: vtz HF-Energy: -34.709059 CCSD(T)-Energy: -34.976232 9 s 0.205835 0.057514 s 0.391384 0.215776 s 0.744196 0.374799 s 1.415048 0.326313 s 2.690638 0.166383 s 5.116103 -0.039149 s 9.727994 -0.085909 s 18.497256 0.006816 s 35.171534 0.000206 1 s 0.317767 1.000000 1 s 0.534557 1.000000 9 p 0.121772 0.029943 p 0.238248 0.114200 p 0.466136 0.219618 p 0.912002 0.268864 p 1.784344 0.256932 p 3.491095 0.191378 p 6.830378 0.112176 p 13.363732 0.063317 p 26.146332 0.008057 1 p 0.294665 1.000000 1 p 0.962126 1.000000 1 d 1.134063 1.000000 1 d 4.161437 1.000000 1 f 2.556751 1.000000 '); INSERT INTO "data_tab" VALUES(4,'Ne','Element Symbol: Ne Basis-namevqz: vqz HF-Energy: -34.709059 CCSD(T)-Energy: -35.017566 9 s 0.205835 0.057514 s 0.391384 0.215776 s 0.744196 0.374799 s 1.415048 0.326313 s 2.690638 0.166383 s 5.116103 -0.039149 s 9.727994 -0.085909 s 18.497256 0.006816 s 35.171534 0.000206 1 s 0.399186 1.000000 1 s 1.658402 1.000000 1 s 2.261159 1.000000 9 p 0.121772 0.029943 p 0.238248 0.114200 p 0.466136 0.219618 p 0.912002 0.268864 p 1.784344 0.256932 p 3.491095 0.191378 p 6.830378 0.112176 p 13.363732 0.063317 p 26.146332 0.008057 1 p 0.245215 1.000000 1 p 0.757342 1.000000 1 p 1.938376 1.000000 1 d 0.738131 1.000000 1 d 2.188751 1.000000 1 d 6.170224 1.000000 1 f 1.589986 1.000000 1 f 4.849402 1.000000 1 g 3.228793 1.000000 '); INSERT INTO "data_tab" VALUES(5,'Ne','Element Symbol: Ne Basis-namev5z: v5z HF-Energy: -34.709059 CCSD(T)-Energy: -35.027534 9 s 0.205835 0.057514 s 0.391384 0.215776 s 0.744196 0.374799 s 1.415048 0.326313 s 2.690638 0.166383 s 5.116103 -0.039149 s 9.727994 -0.085909 s 18.497256 0.006816 s 35.171534 0.000206 1 s 0.318678 1.000000 1 s 0.830178 1.000000 1 s 1.591904 1.000000 1 s 2.744999 1.000000 9 p 0.121772 0.029943 p 0.238248 0.114200 p 0.466136 0.219618 p 0.912002 0.268864 p 1.784344 0.256932 p 3.491095 0.191378 p 6.830378 0.112176 p 13.363732 0.063317 p 26.146332 0.008057 1 p 0.218226 1.000000 1 p 0.636921 1.000000 1 p 1.888191 1.000000 1 p 3.020108 1.000000 1 d 0.654924 1.000000 1 d 1.931502 1.000000 1 d 5.027566 1.000000 1 d 6.989700 1.000000 1 f 1.314297 1.000000 1 f 4.065928 1.000000 1 f 5.587487 1.000000 1 g 2.070925 1.000000 1 g 6.073107 1.000000 1 h 3.743118 1.000000'); INSERT INTO "data_tab" VALUES(2,'Na','Element Symbol: Na Basis-namevdz: vdz HF-Energy: -0.174227 CCSD(T)-Energy: -0.174227 9 s 0.013061 0.200118 s 0.030041 0.467652 s 0.069092 0.227738 s 0.158908 -0.061581 s 0.365481 -0.137533 s 0.840589 0.003323 s 1.933315 0.003741 s 4.446533 -0.001117 s 10.226816 0.000244 1 s 0.865135 1.000000 9 p 0.002593 -0.002840 p 0.006741 0.005340 p 0.017525 -0.025936 p 0.045563 -0.053466 p 0.118461 -0.053691 p 0.307987 0.014439 p 0.800738 0.006199 p 2.081847 -0.001026 p 5.412617 0.000168 1 p 0.106025 1.000000 1 d 0.050790 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Na','Element Symbol: Na Basis-namevtz: vtz HF-Energy: -0.181799 CCSD(T)-Energy: -0.181799 9 s 0.013061 0.200118 s 0.030041 0.467652 s 0.069092 0.227738 s 0.158908 -0.061581 s 0.365481 -0.137533 s 0.840589 0.003323 s 1.933315 0.003741 s 4.446533 -0.001117 s 10.226816 0.000244 1 s 0.067854 1.000000 1 s 0.550451 1.000000 9 p 0.002593 -0.002840 p 0.006741 0.005340 p 0.017525 -0.025936 p 0.045563 -0.053466 p 0.118461 -0.053691 p 0.307987 0.014439 p 0.800738 0.006199 p 2.081847 -0.001026 p 5.412617 0.000168 1 p 0.089406 1.000000 1 p 0.619273 1.000000 1 d 0.086920 1.000000 1 d 0.693014 1.000000 1 f 0.132402 1.000000 '); INSERT INTO "data_tab" VALUES(4,'Na','Element Symbol: Na Basis-namevqz: vqz HF-Energy: -0.181980 CCSD(T)-Energy: -0.181980 9 s 0.013061 0.200118 s 0.030041 0.467652 s 0.069092 0.227738 s 0.158908 -0.061581 s 0.365481 -0.137533 s 0.840589 0.003323 s 1.933315 0.003741 s 4.446533 -0.001117 s 10.226816 0.000244 1 s 0.064915 1.000000 1 s 1.134458 1.000000 1 s 0.771046 1.000000 9 p 0.002593 -0.002840 p 0.006741 0.005340 p 0.017525 -0.025936 p 0.045563 -0.053466 p 0.118461 -0.053691 p 0.307987 0.014439 p 0.800738 0.006199 p 2.081847 -0.001026 p 5.412617 0.000168 1 p 0.059662 1.000000 1 p 0.096714 1.000000 1 p 0.552976 1.000000 1 d 0.046917 1.000000 1 d 0.813868 1.000000 1 d 0.127780 1.000000 1 f 0.129992 1.000000 1 f 0.626429 1.000000 1 g 0.588778 1.000000 '); INSERT INTO "data_tab" VALUES(5,'Na','Element Symbol: Na Basis-namev5z: v5z HF-Energy: -0.182034 CCSD(T)-Energy: -0.182034 9 s 0.013061 0.200118 s 0.030041 0.467652 s 0.069092 0.227738 s 0.158908 -0.061581 s 0.365481 -0.137533 s 0.840589 0.003323 s 1.933315 0.003741 s 4.446533 -0.001117 s 10.226816 0.000244 1 s 0.063999 1.000000 1 s 0.414207 1.000000 1 s 0.848058 1.000000 1 s 1.097178 1.000000 9 p 0.002593 -0.002840 p 0.006741 0.005340 p 0.017525 -0.025936 p 0.045563 -0.053466 p 0.118461 -0.053691 p 0.307987 0.014439 p 0.800738 0.006199 p 2.081847 -0.001026 p 5.412617 0.000168 1 p 0.062027 1.000000 1 p 0.098643 1.000000 1 p 0.404379 1.000000 1 p 0.845826 1.000000 1 d 0.058125 1.000000 1 d 0.824577 1.000000 1 d 0.131674 1.000000 1 d 0.979694 1.000000 1 f 0.112793 1.000000 1 f 0.429471 1.000000 1 f 0.848460 1.000000 1 g 0.285680 1.000000 1 g 0.467702 1.000000'); INSERT INTO "data_tab" VALUES(2,'Mg','Element Symbol: Mg Basis-namevdz: vdz HF-Energy: -0.784324 CCSD(T)-Energy: -0.816857 9 s 0.030975 0.165290 s 0.062959 0.506272 s 0.127970 0.333197 s 0.260111 0.057482 s 0.528700 -0.137614 s 1.074630 -0.135378 s 2.184285 0.048310 s 4.439759 -0.005312 s 9.024217 0.000465 1 s 0.162370 1.000000 9 p 0.047055 1.502038 p 0.083253 -1.433944 p 0.147298 1.318987 p 0.260611 -0.741124 p 0.461094 0.436300 p 0.815803 -0.243798 p 1.443383 0.086774 p 2.553745 -0.028677 p 4.518286 0.006085 1 p 0.121683 1.000000 1 d 0.135526 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Mg','Element Symbol: Mg Basis-namevtz: vtz HF-Energy: -0.784579 CCSD(T)-Energy: -0.819095 9 s 0.030975 0.165290 s 0.062959 0.506272 s 0.127970 0.333197 s 0.260111 0.057482 s 0.528700 -0.137614 s 1.074630 -0.135378 s 2.184285 0.048310 s 4.439759 -0.005312 s 9.024217 0.000465 1 s 0.153453 1.000000 1 s 0.673960 1.000000 9 p 0.047055 1.502038 p 0.083253 -1.433944 p 0.147298 1.318987 p 0.260611 -0.741124 p 0.461094 0.436300 p 0.815803 -0.243798 p 1.443383 0.086774 p 2.553745 -0.028677 p 4.518286 0.006085 1 p 0.126917 1.000000 1 p 1.118965 1.000000 1 d 0.095734 1.000000 1 d 0.274572 1.000000 1 f 0.148519 1.000000 '); INSERT INTO "data_tab" VALUES(4,'Mg','Element Symbol: Mg Basis-namevqz: vqz HF-Energy: -0.784736 CCSD(T)-Energy: -0.819621 9 s 0.030975 0.165290 s 0.062959 0.506272 s 0.127970 0.333197 s 0.260111 0.057482 s 0.528700 -0.137614 s 1.074630 -0.135378 s 2.184285 0.048310 s 4.439759 -0.005312 s 9.024217 0.000465 1 s 0.023378 1.000000 1 s 0.188141 1.000000 1 s 0.616205 1.000000 9 p 0.047055 1.502038 p 0.083253 -1.433944 p 0.147298 1.318987 p 0.260611 -0.741124 p 0.461094 0.436300 p 0.815803 -0.243798 p 1.443383 0.086774 p 2.553745 -0.028677 p 4.518286 0.006085 1 p 0.089167 1.000000 1 p 0.209210 1.000000 1 p 0.846859 1.000000 1 d 0.095526 1.000000 1 d 0.734089 1.000000 1 d 0.233222 1.000000 1 f 0.127025 1.000000 1 f 0.304907 1.000000 1 g 0.192272 1.000000 '); INSERT INTO "data_tab" VALUES(5,'Mg','Element Symbol: Mg Basis-namev5z: v5z HF-Energy: -0.784736 CCSD(T)-Energy: -0.819696 9 s 0.030975 0.165290 s 0.062959 0.506272 s 0.127970 0.333197 s 0.260111 0.057482 s 0.528700 -0.137614 s 1.074630 -0.135378 s 2.184285 0.048310 s 4.439759 -0.005312 s 9.024217 0.000465 1 s 0.023503 1.000000 1 s 0.061201 1.000000 1 s 0.764885 1.000000 1 s 1.054291 1.000000 9 p 0.047055 1.502038 p 0.083253 -1.433944 p 0.147298 1.318987 p 0.260611 -0.741124 p 0.461094 0.436300 p 0.815803 -0.243798 p 1.443383 0.086774 p 2.553745 -0.028677 p 4.518286 0.006085 1 p 0.082386 1.000000 1 p 0.177931 1.000000 1 p 0.385451 1.000000 1 p 0.833239 1.000000 1 d 0.102058 1.000000 1 d 0.815528 1.000000 1 d 0.222855 1.000000 1 d 0.973775 1.000000 1 f 0.141691 1.000000 1 f 0.425441 1.000000 1 f 0.847636 1.000000 1 g 0.171110 1.000000 1 g 0.438459 1.000000 1 h 0.360937 1.000000'); INSERT INTO "data_tab" VALUES(2,'Al','Element Symbol: Al Basis-namevdz: vdz HF-Energy: -1.878786 CCSD(T)-Energy: -1.929382 9 s 0.045518 0.206193 s 0.100308 0.559887 s 0.221051 0.407852 s 0.487132 -0.041098 s 1.073500 -0.238652 s 2.365686 0.038132 s 5.213294 -0.003935 s 11.488606 0.000470 s 25.317597 -0.000014 1 s 0.044024 1.000000 9 p 0.014848 0.009932 p 0.030967 0.160212 p 0.064586 0.389171 p 0.134700 0.373235 p 0.280932 0.195800 p 0.585913 0.022947 p 1.221985 -0.053293 p 2.548578 0.004846 p 5.315330 -0.000726 1 p 0.206631 1.000000 1 d 0.193079 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Al','Element Symbol: Al Basis-namevtz: vtz HF-Energy: -1.878829 CCSD(T)-Energy: -1.936503 9 s 0.045518 0.206193 s 0.100308 0.559887 s 0.221051 0.407852 s 0.487132 -0.041098 s 1.073500 -0.238652 s 2.365686 0.038132 s 5.213294 -0.003935 s 11.488606 0.000470 s 25.317597 -0.000014 1 s 0.064303 1.000000 1 s 0.371009 1.000000 9 p 0.014848 0.009932 p 0.030967 0.160212 p 0.064586 0.389171 p 0.134700 0.373235 p 0.280932 0.195800 p 0.585913 0.022947 p 1.221985 -0.053293 p 2.548578 0.004846 p 5.315330 -0.000726 1 p 0.035607 1.000000 1 p 0.090801 1.000000 1 d 0.115540 1.000000 1 d 0.359082 1.000000 1 f 0.254838 1.000000 '); INSERT INTO "data_tab" VALUES(4,'Al','Element Symbol: Al Basis-namevqz: vqz HF-Energy: -1.878847 CCSD(T)-Energy: -1.937937 9 s 0.045518 0.206193 s 0.100308 0.559887 s 0.221051 0.407852 s 0.487132 -0.041098 s 1.073500 -0.238652 s 2.365686 0.038132 s 5.213294 -0.003935 s 11.488606 0.000470 s 25.317597 -0.000014 1 s 0.058688 1.000000 1 s 0.150215 1.000000 1 s 0.324193 1.000000 9 p 0.014848 0.009932 p 0.030967 0.160212 p 0.064586 0.389171 p 0.134700 0.373235 p 0.280932 0.195800 p 0.585913 0.022947 p 1.221985 -0.053293 p 2.548578 0.004846 p 5.315330 -0.000726 1 p 0.034866 1.000000 1 p 0.403929 1.000000 1 p 0.084117 1.000000 1 d 0.092392 1.000000 1 d 0.245212 1.000000 1 d 0.726318 1.000000 1 f 0.160909 1.000000 1 f 0.409285 1.000000 1 g 0.352027 1.000000 '); INSERT INTO "data_tab" VALUES(5,'Al','Element Symbol: Al Basis-namev5z: v5z HF-Energy: -1.878849 CCSD(T)-Energy: -1.938298 9 s 0.045518 0.206193 s 0.100308 0.559887 s 0.221051 0.407852 s 0.487132 -0.041098 s 1.073500 -0.238652 s 2.365686 0.038132 s 5.213294 -0.003935 s 11.488606 0.000470 s 25.317597 -0.000014 1 s 0.056415 1.000000 1 s 0.155063 1.000000 1 s 0.332041 1.000000 1 s 0.725343 1.000000 9 p 0.014848 0.009932 p 0.030967 0.160212 p 0.064586 0.389171 p 0.134700 0.373235 p 0.280932 0.195800 p 0.585913 0.022947 p 1.221985 -0.053293 p 2.548578 0.004846 p 5.315330 -0.000726 1 p 0.033949 1.000000 1 p 0.083154 1.000000 1 p 0.251360 1.000000 1 p 0.314422 1.000000 1 d 0.088652 1.000000 1 d 0.241216 1.000000 1 d 0.575129 1.000000 1 d 0.989127 1.000000 1 f 0.148598 1.000000 1 f 0.374850 1.000000 1 f 0.781006 1.000000 1 g 0.259548 1.000000 1 g 0.561381 1.000000 1 h 0.328731 1.000000'); INSERT INTO "data_tab" VALUES(2,'Si','Element Symbol: Si Basis-namevdz: vdz HF-Energy: -3.678618 CCSD(T)-Energy: -3.747344 9 s 0.059887 0.167492 s 0.130108 0.532550 s 0.282668 0.464290 s 0.614115 -0.002322 s 1.334205 -0.268234 s 2.898645 0.031921 s 6.297493 -0.000106 s 13.681707 -0.000145 s 29.724387 0.000067 1 s 0.059803 1.000000 9 p 0.036525 0.078761 p 0.076137 0.308331 p 0.158712 0.417773 p 0.330843 0.281676 p 0.689658 0.069876 p 1.437625 -0.056306 p 2.996797 0.000744 p 6.246966 -0.000259 p 13.022097 -0.000022 1 p 0.081570 1.000000 1 d 0.283626 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Si','Element Symbol: Si Basis-namevtz: vtz HF-Energy: -3.678653 CCSD(T)-Energy: -3.762543 9 s 0.059887 0.167492 s 0.130108 0.532550 s 0.282668 0.464290 s 0.614115 -0.002322 s 1.334205 -0.268234 s 2.898645 0.031921 s 6.297493 -0.000106 s 13.681707 -0.000145 s 29.724387 0.000067 1 s 0.090113 1.000000 1 s 0.507467 1.000000 9 p 0.036525 0.078761 p 0.076137 0.308331 p 0.158712 0.417773 p 0.330843 0.281676 p 0.689658 0.069876 p 1.437625 -0.056306 p 2.996797 0.000744 p 6.246966 -0.000259 p 13.022097 -0.000022 1 p 0.056148 1.000000 1 p 0.146758 1.000000 1 d 0.170395 1.000000 1 d 0.539756 1.000000 1 f 0.352999 1.000000 '); INSERT INTO "data_tab" VALUES(4,'Si','Element Symbol: Si Basis-namevqz: vqz HF-Energy: -3.678670 CCSD(T)-Energy: -3.765849 9 s 0.059887 0.167492 s 0.130108 0.532550 s 0.282668 0.464290 s 0.614115 -0.002322 s 1.334205 -0.268234 s 2.898645 0.031921 s 6.297493 -0.000106 s 13.681707 -0.000145 s 29.724387 0.000067 1 s 0.079900 1.000000 1 s 0.206024 1.000000 1 s 0.435017 1.000000 9 p 0.036525 0.078761 p 0.076137 0.308331 p 0.158712 0.417773 p 0.330843 0.281676 p 0.689658 0.069876 p 1.437625 -0.056306 p 2.996797 0.000744 p 6.246966 -0.000259 p 13.022097 -0.000022 1 p 0.054575 1.000000 1 p 0.599112 1.000000 1 p 0.134681 1.000000 1 d 0.133118 1.000000 1 d 0.350967 1.000000 1 d 1.063961 1.000000 1 f 0.211319 1.000000 1 f 0.535932 1.000000 1 g 0.465365 1.000000 '); INSERT INTO "data_tab" VALUES(5,'Si','Element Symbol: Si Basis-namev5z: v5z HF-Energy: -3.678671 CCSD(T)-Energy: -3.766704 9 s 0.059887 0.167492 s 0.130108 0.532550 s 0.282668 0.464290 s 0.614115 -0.002322 s 1.334205 -0.268234 s 2.898645 0.031921 s 6.297493 -0.000106 s 13.681707 -0.000145 s 29.724387 0.000067 1 s 0.075500 1.000000 1 s 0.196459 1.000000 1 s 0.424036 1.000000 1 s 0.920486 1.000000 9 p 0.036525 0.078761 p 0.076137 0.308331 p 0.158712 0.417773 p 0.330843 0.281676 p 0.689658 0.069876 p 1.437625 -0.056306 p 2.996797 0.000744 p 6.246966 -0.000259 p 13.022097 -0.000022 1 p 0.048136 1.000000 1 p 0.115813 1.000000 1 p 0.238594 1.000000 1 p 0.496918 1.000000 1 d 0.127945 1.000000 1 d 0.353096 1.000000 1 d 0.805426 1.000000 1 d 1.247695 1.000000 1 f 0.172876 1.000000 1 f 0.402208 1.000000 1 f 0.833081 1.000000 1 g 0.299885 1.000000 1 g 0.647054 1.000000 1 h 0.557542 1.000000'); INSERT INTO "data_tab" VALUES(2,'P','Element Symbol: P Basis-namevdz: vdz HF-Energy: -6.359075 CCSD(T)-Energy: -6.441694 9 s 0.074718 0.140225 s 0.160834 0.506746 s 0.346202 0.499893 s 0.745215 0.037301 s 1.604109 -0.284591 s 3.452917 0.024766 s 7.432561 0.001798 s 15.998924 -0.000314 s 34.438408 0.000088 1 s 0.077260 1.000000 9 p 0.050242 0.072095 p 0.102391 0.278735 p 0.208669 0.411034 p 0.425256 0.304724 p 0.866651 0.091727 p 1.766191 -0.057060 p 3.599410 -0.005103 p 7.335418 0.000328 p 14.949217 -0.000046 1 p 0.113433 1.000000 1 d 0.390944 1.000000 '); INSERT INTO "data_tab" VALUES(3,'P','Element Symbol: P Basis-namevtz: vtz HF-Energy: -6.359075 CCSD(T)-Energy: -6.468391 9 s 0.074718 0.140225 s 0.160834 0.506746 s 0.346202 0.499893 s 0.745215 0.037301 s 1.604109 -0.284591 s 3.452917 0.024766 s 7.432561 0.001798 s 15.998924 -0.000314 s 34.438408 0.000088 1 s 0.115288 1.000000 1 s 0.646066 1.000000 9 p 0.050242 0.072095 p 0.102391 0.278735 p 0.208669 0.411034 p 0.425256 0.304724 p 0.866651 0.091727 p 1.766191 -0.057060 p 3.599410 -0.005103 p 7.335418 0.000328 p 14.949217 -0.000046 1 p 0.076568 1.000000 1 p 0.200301 1.000000 1 d 0.234543 1.000000 1 d 0.753299 1.000000 1 f 0.468762 1.000000 '); INSERT INTO "data_tab" VALUES(4,'P','Element Symbol: P Basis-namevqz: vqz HF-Energy: -6.359075 CCSD(T)-Energy: -6.474649 9 s 0.074718 0.140225 s 0.160834 0.506746 s 0.346202 0.499893 s 0.745215 0.037301 s 1.604109 -0.284591 s 3.452917 0.024766 s 7.432561 0.001798 s 15.998924 -0.000314 s 34.438408 0.000088 1 s 0.098851 1.000000 1 s 0.255593 1.000000 1 s 0.546057 1.000000 9 p 0.050242 0.072095 p 0.102391 0.278735 p 0.208669 0.411034 p 0.425256 0.304724 p 0.866651 0.091727 p 1.766191 -0.057060 p 3.599410 -0.005103 p 7.335418 0.000328 p 14.949217 -0.000046 1 p 0.074522 1.000000 1 p 0.764539 1.000000 1 p 0.182211 1.000000 1 d 0.186505 1.000000 1 d 0.502400 1.000000 1 d 1.576445 1.000000 1 f 0.280702 1.000000 1 f 0.719161 1.000000 1 g 0.599144 1.000000 '); INSERT INTO "data_tab" VALUES(5,'P','Element Symbol: P Basis-namev5z: v5z HF-Energy: -6.359075 CCSD(T)-Energy: -6.476249 9 s 0.074718 0.140225 s 0.160834 0.506746 s 0.346202 0.499893 s 0.745215 0.037301 s 1.604109 -0.284591 s 3.452917 0.024766 s 7.432561 0.001798 s 15.998924 -0.000314 s 34.438408 0.000088 1 s 0.082092 1.000000 1 s 0.195525 1.000000 1 s 0.434767 1.000000 1 s 1.027573 1.000000 9 p 0.050242 0.072095 p 0.102391 0.278735 p 0.208669 0.411034 p 0.425256 0.304724 p 0.866651 0.091727 p 1.766191 -0.057060 p 3.599410 -0.005103 p 7.335418 0.000328 p 14.949217 -0.000046 1 p 0.074159 1.000000 1 p 0.189382 1.000000 1 p 0.470798 1.000000 1 p 0.815677 1.000000 1 d 0.167800 1.000000 1 d 0.457307 1.000000 1 d 1.021650 1.000000 1 d 1.598720 1.000000 1 f 0.214751 1.000000 1 f 0.482380 1.000000 1 f 0.984966 1.000000 1 g 0.406484 1.000000 1 g 0.924507 1.000000 1 h 0.831913 1.000000'); INSERT INTO "data_tab" VALUES(2,'S','Element Symbol: S Basis-namevdz: vdz HF-Energy: -9.955307 CCSD(T)-Energy: -10.063831 9 s 0.095120 0.140074 s 0.202385 0.490942 s 0.430611 0.515297 s 0.916203 0.050320 s 1.949388 -0.298908 s 4.147674 0.019827 s 8.824926 0.007266 s 18.776623 -0.001602 s 39.950656 0.000271 1 s 0.098454 1.000000 9 p 0.057087 0.081938 p 0.115901 0.251826 p 0.235305 0.376344 p 0.477723 0.320902 p 0.969889 0.143779 p 1.969099 -0.045543 p 3.997726 -0.017191 p 8.116307 0.002580 p 16.477979 -0.000222 1 p 0.128926 1.000000 1 d 0.514135 1.000000 '); INSERT INTO "data_tab" VALUES(3,'S','Element Symbol: S Basis-namevtz: vtz HF-Energy: -9.957145 CCSD(T)-Energy: -10.114756 9 s 0.095120 0.140074 s 0.202385 0.490942 s 0.430611 0.515297 s 0.916203 0.050320 s 1.949388 -0.298908 s 4.147674 0.019827 s 8.824926 0.007266 s 18.776623 -0.001602 s 39.950656 0.000271 1 s 0.146642 1.000000 1 s 0.792025 1.000000 9 p 0.057087 0.081938 p 0.115901 0.251826 p 0.235305 0.376344 p 0.477723 0.320902 p 0.969889 0.143779 p 1.969099 -0.045543 p 3.997726 -0.017191 p 8.116307 0.002580 p 16.477979 -0.000222 1 p 0.088694 1.000000 1 p 0.247967 1.000000 1 d 0.292889 1.000000 1 d 0.950659 1.000000 1 f 0.573218 1.000000 '); INSERT INTO "data_tab" VALUES(4,'S','Element Symbol: S Basis-namevqz: vqz HF-Energy: -9.957360 CCSD(T)-Energy: -10.127207 9 s 0.095120 0.140074 s 0.202385 0.490942 s 0.430611 0.515297 s 0.916203 0.050320 s 1.949388 -0.298908 s 4.147674 0.019827 s 8.824926 0.007266 s 18.776623 -0.001602 s 39.950656 0.000271 1 s 0.123759 1.000000 1 s 0.315587 1.000000 1 s 0.651905 1.000000 9 p 0.057087 0.081938 p 0.115901 0.251826 p 0.235305 0.376344 p 0.477723 0.320902 p 0.969889 0.143779 p 1.969099 -0.045543 p 3.997726 -0.017191 p 8.116307 0.002580 p 16.477979 -0.000222 1 p 0.078717 1.000000 1 p 0.202707 1.000000 1 p 0.301333 1.000000 1 d 0.215701 1.000000 1 d 0.560638 1.000000 1 d 1.588204 1.000000 1 f 0.356554 1.000000 1 f 0.961826 1.000000 1 g 0.694803 1.000000 '); INSERT INTO "data_tab" VALUES(5,'S','Element Symbol: S Basis-namev5z: v5z HF-Energy: -9.957418 CCSD(T)-Energy: -10.131970 9 s 0.095120 0.140074 s 0.202385 0.490942 s 0.430611 0.515297 s 0.916203 0.050320 s 1.949388 -0.298908 s 4.147674 0.019827 s 8.824926 0.007266 s 18.776623 -0.001602 s 39.950656 0.000271 1 s 0.113918 1.000000 1 s 0.282790 1.000000 1 s 0.626702 1.000000 1 s 1.338226 1.000000 9 p 0.057087 0.081938 p 0.115901 0.251826 p 0.235305 0.376344 p 0.477723 0.320902 p 0.969889 0.143779 p 1.969099 -0.045543 p 3.997726 -0.017191 p 8.116307 0.002580 p 16.477979 -0.000222 1 p 0.079101 1.000000 1 p 0.210632 1.000000 1 p 0.522537 1.000000 1 p 0.924454 1.000000 1 d 0.186546 1.000000 1 d 0.462328 1.000000 1 d 0.955579 1.000000 1 d 2.334308 1.000000 1 f 0.274343 1.000000 1 f 0.661568 1.000000 1 f 1.389533 1.000000 1 g 0.486698 1.000000 1 g 1.166495 1.000000 1 h 0.839494 1.000000'); INSERT INTO "data_tab" VALUES(2,'Cl','Element Symbol: Cl Basis-namevdz: vdz HF-Energy: -14.740423 CCSD(T)-Energy: -14.874246 9 s 0.119944 0.148917 s 0.257348 0.503616 s 0.552157 0.523995 s 1.184691 0.013612 s 2.541836 -0.328846 s 5.453681 0.056309 s 11.701243 -0.001301 s 25.105812 -0.000294 s 53.866226 0.000076 1 s 0.120667 1.000000 9 p 0.074374 0.084925 p 0.155084 0.270658 p 0.323378 0.396022 p 0.674303 0.324325 p 1.406043 0.100661 p 2.931855 -0.069802 p 6.113450 -0.000951 p 12.747651 0.001501 p 26.581165 -0.000249 1 p 0.168333 1.000000 1 d 0.651071 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Cl','Element Symbol: Cl Basis-namevtz: vtz HF-Energy: -14.741759 CCSD(T)-Energy: -14.945231 9 s 0.119944 0.148917 s 0.257348 0.503616 s 0.552157 0.523995 s 1.184691 0.013612 s 2.541836 -0.328846 s 5.453681 0.056309 s 11.701243 -0.001301 s 25.105812 -0.000294 s 53.866226 0.000076 1 s 0.185613 1.000000 1 s 0.991560 1.000000 9 p 0.074374 0.084925 p 0.155084 0.270658 p 0.323378 0.396022 p 0.674303 0.324325 p 1.406043 0.100661 p 2.931855 -0.069802 p 6.113450 -0.000951 p 12.747651 0.001501 p 26.581165 -0.000249 1 p 0.112268 1.000000 1 p 0.309583 1.000000 1 d 0.352357 1.000000 1 d 1.128796 1.000000 1 f 0.731999 1.000000 '); INSERT INTO "data_tab" VALUES(4,'Cl','Element Symbol: Cl Basis-namevqz: vqz HF-Energy: -14.741946 CCSD(T)-Energy: -14.966388 9 s 0.119944 0.148917 s 0.257348 0.503616 s 0.552157 0.523995 s 1.184691 0.013612 s 2.541836 -0.328846 s 5.453681 0.056309 s 11.701243 -0.001301 s 25.105812 -0.000294 s 53.866226 0.000076 1 s 0.161594 1.000000 1 s 0.440111 1.000000 1 s 0.848928 1.000000 9 p 0.074374 0.084925 p 0.155084 0.270658 p 0.323378 0.396022 p 0.674303 0.324325 p 1.406043 0.100661 p 2.931855 -0.069802 p 6.113450 -0.000951 p 12.747651 0.001501 p 26.581165 -0.000249 1 p 0.111309 1.000000 1 p 1.286881 1.000000 1 p 0.289403 1.000000 1 d 0.253063 1.000000 1 d 0.642589 1.000000 1 d 1.654717 1.000000 1 f 0.448175 1.000000 1 f 1.189807 1.000000 1 g 0.848307 1.000000 '); INSERT INTO "data_tab" VALUES(5,'Cl','Element Symbol: Cl Basis-namev5z: v5z HF-Energy: -14.741980 CCSD(T)-Energy: -14.972355 9 s 0.119944 0.148917 s 0.257348 0.503616 s 0.552157 0.523995 s 1.184691 0.013612 s 2.541836 -0.328846 s 5.453681 0.056309 s 11.701243 -0.001301 s 25.105812 -0.000294 s 53.866226 0.000076 1 s 0.152049 1.000000 1 s 0.639110 1.000000 1 s 0.801438 1.000000 1 s 1.671380 1.000000 9 p 0.074374 0.084925 p 0.155084 0.270658 p 0.323378 0.396022 p 0.674303 0.324325 p 1.406043 0.100661 p 2.931855 -0.069802 p 6.113450 -0.000951 p 12.747651 0.001501 p 26.581165 -0.000249 1 p 0.103926 1.000000 1 p 0.275582 1.000000 1 p 0.667436 1.000000 1 p 1.171614 1.000000 1 d 0.237419 1.000000 1 d 0.729517 1.000000 1 d 0.924049 1.000000 1 d 1.522182 1.000000 1 f 0.335123 1.000000 1 f 0.789116 1.000000 1 f 1.609975 1.000000 1 g 0.576133 1.000000 1 g 1.402971 1.000000 1 h 1.099609 1.000000'); INSERT INTO "data_tab" VALUES(2,'Ar','Element Symbol: Ar Basis-namevdz: vdz HF-Energy: -20.884139 CCSD(T)-Energy: -21.042077 9 s 0.147347 0.155473 s 0.312164 0.494617 s 0.661339 0.526705 s 1.401090 0.021986 s 2.968301 -0.338533 s 6.288539 0.056023 s 13.322677 -0.000115 s 28.224956 -0.000595 s 59.796402 0.000127 1 s 0.147526 1.000000 9 p 0.090580 0.079101 p 0.188085 0.260718 p 0.390548 0.395065 p 0.810953 0.334954 p 1.683902 0.107462 p 3.496535 -0.073657 p 7.260371 -0.001407 p 15.075781 0.001710 p 31.304069 -0.000275 1 p 0.211798 1.000000 1 d 0.810888 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Ar','Element Symbol: Ar Basis-namevtz: vtz HF-Energy: -20.884139 CCSD(T)-Energy: -21.131134 9 s 0.147347 0.155473 s 0.312164 0.494617 s 0.661339 0.526705 s 1.401090 0.021986 s 2.968301 -0.338533 s 6.288539 0.056023 s 13.322677 -0.000115 s 28.224956 -0.000595 s 59.796402 0.000127 1 s 0.228740 1.000000 1 s 1.191630 1.000000 9 p 0.090580 0.079101 p 0.188085 0.260718 p 0.390548 0.395065 p 0.810953 0.334954 p 1.683902 0.107462 p 3.496535 -0.073657 p 7.260371 -0.001407 p 15.075781 0.001710 p 31.304069 -0.000275 1 p 0.138338 1.000000 1 p 0.380189 1.000000 1 d 0.425779 1.000000 1 d 1.370859 1.000000 1 f 0.929931 1.000000 '); INSERT INTO "data_tab" VALUES(4,'Ar','Element Symbol: Ar Basis-namevqz: vqz HF-Energy: -20.884139 CCSD(T)-Energy: -21.161250 9 s 0.147347 0.155473 s 0.312164 0.494617 s 0.661339 0.526705 s 1.401090 0.021986 s 2.968301 -0.338533 s 6.288539 0.056023 s 13.322677 -0.000115 s 28.224956 -0.000595 s 59.796402 0.000127 1 s 0.196024 1.000000 1 s 0.540061 1.000000 1 s 1.020348 1.000000 9 p 0.090580 0.079101 p 0.188085 0.260718 p 0.390548 0.395065 p 0.810953 0.334954 p 1.683902 0.107462 p 3.496535 -0.073657 p 7.260371 -0.001407 p 15.075781 0.001710 p 31.304069 -0.000275 1 p 0.140701 1.000000 1 p 1.604300 1.000000 1 p 0.367738 1.000000 1 d 0.304103 1.000000 1 d 0.760464 1.000000 1 d 1.900944 1.000000 1 f 0.583628 1.000000 1 f 1.480507 1.000000 1 g 1.030824 1.000000 '); INSERT INTO "data_tab" VALUES(5,'Ar','Element Symbol: Ar Basis-namev5z: v5z HF-Energy: -20.884139 CCSD(T)-Energy: -21.170192 9 s 0.147347 0.155473 s 0.312164 0.494617 s 0.661339 0.526705 s 1.401090 0.021986 s 2.968301 -0.338533 s 6.288539 0.056023 s 13.322677 -0.000115 s 28.224956 -0.000595 s 59.796402 0.000127 1 s 0.189594 1.000000 1 s 0.778040 1.000000 1 s 0.971266 1.000000 1 s 1.979612 1.000000 9 p 0.090580 0.079101 p 0.188085 0.260718 p 0.390548 0.395065 p 0.810953 0.334954 p 1.683902 0.107462 p 3.496535 -0.073657 p 7.260371 -0.001407 p 15.075781 0.001710 p 31.304069 -0.000275 1 p 0.133916 1.000000 1 p 0.356186 1.000000 1 p 0.833562 1.000000 1 p 1.430927 1.000000 1 d 0.268113 1.000000 1 d 0.697753 1.000000 1 d 1.185366 1.000000 1 d 2.118102 1.000000 1 f 0.422461 1.000000 1 f 0.973776 1.000000 1 f 2.020616 1.000000 1 g 0.695217 1.000000 1 g 1.690111 1.000000 1 h 1.258944 1.000000'); INSERT INTO "data_tab" VALUES(2,'K','Element Symbol: K Basis-namevdz: vdz HF-Energy: -0.147527 CCSD(T)-Energy: -0.147527 9 s 0.017365 0.444154 s 0.039432 0.431906 s 0.089538 0.040955 s 0.203317 -0.178633 s 0.461676 -0.162292 s 1.048337 0.083942 s 2.380481 -0.013650 s 5.405407 0.001752 s 12.274172 -0.000216 1 s 0.134208 1.000000 9 p 0.015053 -0.022303 p 0.033214 -0.055106 p 0.073286 -0.050766 p 0.161705 0.022211 p 0.356799 0.029953 p 0.787270 -0.008213 p 1.737100 0.000160 p 3.832883 0.000253 p 8.457196 -0.000071 1 p 0.039934 1.000000 1 d 0.055562 1.000000 '); INSERT INTO "data_tab" VALUES(3,'K','Element Symbol: K Basis-namevtz: vtz HF-Energy: -0.147624 CCSD(T)-Energy: -0.147624 9 s 0.017365 0.444154 s 0.039432 0.431906 s 0.089538 0.040955 s 0.203317 -0.178633 s 0.461676 -0.162292 s 1.048337 0.083942 s 2.380481 -0.013650 s 5.405407 0.001752 s 12.274172 -0.000216 1 s 0.057933 1.000000 1 s 0.171219 1.000000 9 p 0.015053 -0.022303 p 0.033214 -0.055106 p 0.073286 -0.050766 p 0.161705 0.022211 p 0.356799 0.029953 p 0.787270 -0.008213 p 1.737100 0.000160 p 3.832883 0.000253 p 8.457196 -0.000071 1 p 0.044643 1.000000 1 p 0.256200 1.000000 1 d 0.060330 1.000000 1 d 0.581732 1.000000 1 f 0.473119 1.000000'); INSERT INTO "data_tab" VALUES(2,'Ca','Element Symbol: Ca Basis-namevdz: vdz HF-Energy: -1.733603 CCSD(T)-Energy: -1.799647 9 s 0.019220 0.031083 s 0.044206 0.129599 s 0.101674 0.197919 s 0.233852 -0.075445 s 0.537862 -0.197849 s 1.237092 0.083244 s 2.845329 -0.012885 s 6.544301 0.001791 s 15.051990 -0.000245 1 s 0.124975 1.000000 9 p 0.008008 -0.005632 p 0.018417 0.031052 p 0.042355 0.094286 p 0.097408 0.163876 p 0.224018 -0.003961 p 0.515195 -0.111912 p 1.184839 0.031892 p 2.724878 -0.004517 p 6.266642 0.000588 1 p 0.126295 1.000000 1 d 0.607820 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Ca','Element Symbol: Ca Basis-namevtz: vtz HF-Energy: -1.738556 CCSD(T)-Energy: -1.808349 9 s 0.019220 0.031083 s 0.044206 0.129599 s 0.101674 0.197919 s 0.233852 -0.075445 s 0.537862 -0.197849 s 1.237092 0.083244 s 2.845329 -0.012885 s 6.544301 0.001791 s 15.051990 -0.000245 1 s 0.108753 1.000000 1 s 0.367753 1.000000 9 p 0.008008 -0.005632 p 0.018417 0.031052 p 0.042355 0.094286 p 0.097408 0.163876 p 0.224018 -0.003961 p 0.515195 -0.111912 p 1.184839 0.031892 p 2.724878 -0.004517 p 6.266642 0.000588 1 p 0.044555 1.000000 1 p 0.118007 1.000000 1 d 0.182720 1.000000 1 d 0.854471 1.000000 1 f 0.185370 1.000000'); INSERT INTO "data_tab" VALUES(2,'Ga','Element Symbol: Ga Basis-namevdz: vdz HF-Energy: -1.975237 CCSD(T)-Energy: -2.019073 9 s 0.054628 0.253171 s 0.123743 0.598295 s 0.280299 0.356909 s 0.634926 -0.056544 s 1.438218 -0.411266 s 3.257814 0.156079 s 7.379514 -0.025142 s 16.715879 0.004089 s 37.864367 -0.000622 1 s 0.031898 1.000000 9 p 0.029207 0.759400 p 0.064420 -0.022059 p 0.142086 0.368252 p 0.313389 0.051142 p 0.691221 0.036655 p 1.524577 -0.078589 p 3.362652 0.017781 p 7.416764 -0.002498 p 16.358632 0.000386 1 p 0.027155 1.000000 1 d 0.182311 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Ga','Element Symbol: Ga Basis-namevtz: vtz HF-Energy: -1.977538 CCSD(T)-Energy: -2.028322 9 s 0.054628 0.253171 s 0.123743 0.598295 s 0.280299 0.356909 s 0.634926 -0.056544 s 1.438218 -0.411266 s 3.257814 0.156079 s 7.379514 -0.025142 s 16.715879 0.004089 s 37.864367 -0.000622 1 s 0.069703 1.000000 1 s 0.341994 1.000000 9 p 0.029207 0.759400 p 0.064420 -0.022059 p 0.142086 0.368252 p 0.313389 0.051142 p 0.691221 0.036655 p 1.524577 -0.078589 p 3.362652 0.017781 p 7.416764 -0.002498 p 16.358632 0.000386 1 p 0.027309 1.000000 1 p 0.064029 1.000000 1 d 0.105092 1.000000 1 d 0.266379 1.000000 1 f 0.297554 1.000000'); INSERT INTO "data_tab" VALUES(2,'Ge','Element Symbol: Ge Basis-namevdz: vdz HF-Energy: -3.651512 CCSD(T)-Energy: -3.711099 9 s 0.066287 0.213230 s 0.150128 0.605570 s 0.340013 0.413442 s 0.770064 -0.106356 s 1.744049 -0.364579 s 3.949940 0.127448 s 8.945864 -0.017166 s 20.260687 0.002454 s 45.886614 -0.000355 1 s 0.043781 1.000000 9 p 0.036511 0.098680 p 0.080524 0.372290 p 0.177593 0.443836 p 0.391677 0.232585 p 0.863832 0.000058 p 1.905157 -0.108282 p 4.201772 0.021894 p 9.266892 -0.001911 p 20.437873 0.000181 1 p 0.074726 1.000000 1 d 0.234278 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Ge','Element Symbol: Ge Basis-namevtz: vtz HF-Energy: -3.651566 CCSD(T)-Energy: -3.722250 9 s 0.066287 0.213230 s 0.150128 0.605570 s 0.340013 0.413442 s 0.770064 -0.106356 s 1.744049 -0.364579 s 3.949940 0.127448 s 8.945864 -0.017166 s 20.260687 0.002454 s 45.886614 -0.000355 1 s 0.091049 1.000000 1 s 0.445676 1.000000 9 p 0.036511 0.098680 p 0.080524 0.372290 p 0.177593 0.443836 p 0.391677 0.232585 p 0.863832 0.000058 p 1.905157 -0.108282 p 4.201772 0.021894 p 9.266892 -0.001911 p 20.437873 0.000181 1 p 0.040412 1.000000 1 p 0.092450 1.000000 1 d 0.130147 1.000000 1 d 0.323826 1.000000 1 f 0.352814 1.000000'); INSERT INTO "data_tab" VALUES(2,'As','Element Symbol: As Basis-namevdz: vdz HF-Energy: -6.042213 CCSD(T)-Energy: -6.112605 9 s 0.079412 0.192043 s 0.178687 0.611682 s 0.402068 0.439261 s 0.904702 -0.110280 s 2.035691 -0.394179 s 4.580555 0.145632 s 10.306811 -0.021379 s 23.191593 0.003205 s 52.183937 -0.000469 1 s 0.051480 1.000000 9 p 0.050626 0.105058 p 0.108692 0.361819 p 0.233354 0.452107 p 0.500995 0.231243 p 1.075603 -0.009549 p 2.309248 -0.121767 p 4.957802 0.028648 p 10.644071 -0.002941 p 22.852115 0.000293 1 p 0.095623 1.000000 1 d 0.297652 1.000000 '); INSERT INTO "data_tab" VALUES(3,'As','Element Symbol: As Basis-namevtz: vtz HF-Energy: -6.042212 CCSD(T)-Energy: -6.133416 9 s 0.079412 0.192043 s 0.178687 0.611682 s 0.402068 0.439261 s 0.904702 -0.110280 s 2.035691 -0.394179 s 4.580555 0.145632 s 10.306811 -0.021379 s 23.191593 0.003205 s 52.183937 -0.000469 1 s 0.113088 1.000000 1 s 0.540159 1.000000 9 p 0.050626 0.105058 p 0.108692 0.361819 p 0.233354 0.452107 p 0.500995 0.231243 p 1.075603 -0.009549 p 2.309248 -0.121767 p 4.957802 0.028648 p 10.644071 -0.002941 p 22.852115 0.000293 1 p 0.612326 1.000000 1 p 0.100851 1.000000 1 d 0.165790 1.000000 1 d 0.412063 1.000000 1 f 0.425290 1.000000'); INSERT INTO "data_tab" VALUES(2,'Se','Element Symbol: Se Basis-namevdz: vdz HF-Energy: -9.130646 CCSD(T)-Energy: -9.221187 9 s 0.096883 0.200965 s 0.217674 0.615093 s 0.489067 0.462636 s 1.098828 -0.204179 s 2.468828 -0.307584 s 5.546920 0.109895 s 12.462726 -0.012288 s 28.001040 0.001205 s 62.912258 -0.000132 1 s 0.062467 1.000000 9 p 0.056147 0.073504 p 0.122259 0.334692 p 0.266220 0.473323 p 0.579694 0.276571 p 1.262286 -0.032356 p 2.748631 -0.103709 p 5.985152 0.020181 p 13.032685 -0.001095 p 28.378708 0.000019 1 p 0.107381 1.000000 1 d 0.348649 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Se','Element Symbol: Se Basis-namevtz: vtz HF-Energy: -9.132375 CCSD(T)-Energy: -9.258881 9 s 0.096883 0.200965 s 0.217674 0.615093 s 0.489067 0.462636 s 1.098828 -0.204179 s 2.468828 -0.307584 s 5.546920 0.109895 s 12.462726 -0.012288 s 28.001040 0.001205 s 62.912258 -0.000132 1 s 0.130387 1.000000 1 s 0.584755 1.000000 9 p 0.056147 0.073504 p 0.122259 0.334692 p 0.266220 0.473323 p 0.579694 0.276571 p 1.262286 -0.032356 p 2.748631 -0.103709 p 5.985152 0.020181 p 13.032685 -0.001095 p 28.378708 0.000019 1 p 0.069683 1.000000 1 p 0.141231 1.000000 1 d 0.195235 1.000000 1 d 0.471051 1.000000 1 f 0.466246 1.000000'); INSERT INTO "data_tab" VALUES(2,'Br','Element Symbol: Br Basis-namevdz: vdz HF-Energy: -13.124612 CCSD(T)-Energy: -13.235352 9 s 0.114626 0.199832 s 0.253024 0.605806 s 0.558520 0.486414 s 1.232866 -0.208964 s 2.721403 -0.328448 s 6.007171 0.118471 s 13.260109 -0.013112 s 29.270100 0.001206 s 64.610234 -0.000121 1 s 0.074712 1.000000 9 p 0.067990 0.107992 p 0.145507 0.331860 p 0.311403 0.442871 p 0.666441 0.283256 p 1.426267 -0.026045 p 3.052389 -0.111323 p 6.532494 0.021712 p 13.980353 -0.001188 p 29.919703 0.000022 1 p 0.129654 1.000000 1 d 0.417296 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Br','Element Symbol: Br Basis-namevtz: vtz HF-Energy: -13.125979 CCSD(T)-Energy: -13.288432 9 s 0.114626 0.199832 s 0.253024 0.605806 s 0.558520 0.486414 s 1.232866 -0.208964 s 2.721403 -0.328448 s 6.007171 0.118471 s 13.260109 -0.013112 s 29.270100 0.001206 s 64.610234 -0.000121 1 s 0.154401 1.000000 1 s 0.660618 1.000000 9 p 0.067990 0.107992 p 0.145507 0.331860 p 0.311403 0.442871 p 0.666441 0.283256 p 1.426267 -0.026045 p 3.052389 -0.111323 p 6.532494 0.021712 p 13.980353 -0.001188 p 29.919703 0.000022 1 p 0.078655 1.000000 1 p 0.164043 1.000000 1 d 0.234980 1.000000 1 d 0.568017 1.000000 1 f 0.555711 1.000000'); INSERT INTO "data_tab" VALUES(2,'Kr','Element Symbol: Kr Basis-namevdz: vdz HF-Energy: -18.128728 CCSD(T)-Energy: -18.252979 9 s 0.129911 0.183453 s 0.282220 0.596016 s 0.613098 0.506410 s 1.331901 -0.150926 s 2.893437 -0.423611 s 6.285735 0.162644 s 13.655203 -0.023284 s 29.664719 0.003157 s 64.443973 -0.000422 1 s 0.634619 1.000000 9 p 0.079314 0.096705 p 0.167216 0.312567 p 0.352539 0.448237 p 0.743252 0.298640 p 1.566988 -0.003641 p 3.303659 -0.138798 p 6.965055 0.029989 p 14.684325 -0.002578 p 30.958748 0.000205 1 p 0.149902 1.000000 1 d 0.487932 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Kr','Element Symbol: Kr Basis-namevtz: vtz HF-Energy: -18.128728 CCSD(T)-Energy: -18.321380 9 s 0.129911 0.183453 s 0.282220 0.596016 s 0.613098 0.506410 s 1.331901 -0.150926 s 2.893437 -0.423611 s 6.285735 0.162644 s 13.655203 -0.023284 s 29.664719 0.003157 s 64.443973 -0.000422 1 s 0.179349 1.000000 1 s 0.755436 1.000000 9 p 0.079314 0.096705 p 0.167216 0.312567 p 0.352539 0.448237 p 0.743252 0.298640 p 1.566988 -0.003641 p 3.303659 -0.138798 p 6.965055 0.029989 p 14.684325 -0.002578 p 30.958748 0.000205 1 p 0.094685 1.000000 1 p 0.189991 1.000000 1 d 0.279731 1.000000 1 d 0.675347 1.000000 1 f 0.685639 1.000000'); INSERT INTO "data_tab" VALUES(2,'Rb','Element Symbol: Rb Basis-namevdz: vdz HF-Energy: -0.139568 CCSD(T)-Energy: -0.139568 9 s 0.015824 0.483651 s 0.036041 0.682975 s 0.082088 -0.024815 s 0.186966 -0.191050 s 0.425839 -0.214531 s 0.969902 0.147399 s 2.209071 -0.038358 s 5.031431 0.007363 s 11.459706 -0.001094 1 s 0.017125 1.000000 9 p 0.009962 0.130254 p 0.023857 0.223104 p 0.057128 -0.295955 p 0.136803 0.122174 p 0.327596 0.000501 p 0.784480 -0.005930 p 1.878563 0.001091 p 4.498517 -0.000097 p 10.772413 -0.000002 1 p 0.014140 1.000000 1 d 0.037953 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Rb','Element Symbol: Rb Basis-namevtz: vtz HF-Energy: -0.139568 CCSD(T)-Energy: -0.139568 9 s 0.015824 0.483651 s 0.036041 0.682975 s 0.082088 -0.024815 s 0.186966 -0.191050 s 0.425839 -0.214531 s 0.969902 0.147399 s 2.209071 -0.038358 s 5.031431 0.007363 s 11.459706 -0.001094 1 s 0.046223 1.000000 1 s 0.150890 1.000000 9 p 0.009962 0.130254 p 0.023857 0.223104 p 0.057128 -0.295955 p 0.136803 0.122174 p 0.327596 0.000501 p 0.784480 -0.005930 p 1.878563 0.001091 p 4.498517 -0.000097 p 10.772413 -0.000002 1 p 0.017975 1.000000 1 p 0.139593 1.000000 1 d 0.048316 1.000000 1 d 0.511469 1.000000 1 f 0.061541 1.000000'); INSERT INTO "data_tab" VALUES(2,'Sr','Element Symbol: Sr Basis-namevdz: vdz HF-Energy: -1.672139 CCSD(T)-Energy: -1.737614 9 s 0.019429 0.044654 s 0.043476 0.138301 s 0.097283 0.169624 s 0.217685 -0.093894 s 0.487102 -0.247613 s 1.089961 0.160101 s 2.438947 -0.043595 s 5.457499 0.008684 s 12.211949 -0.001296 1 s 0.091481 1.000000 9 p 0.027297 0.079015 p 0.055025 0.109563 p 0.110920 0.096798 p 0.223593 -0.047473 p 0.450721 -0.171028 p 0.908566 0.104848 p 1.831493 -0.029516 p 3.691937 0.006196 p 7.442231 -0.000955 1 p 0.098678 1.000000 1 d 0.433416 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Sr','Element Symbol: Sr Basis-namevtz: vtz HF-Energy: -1.675765 CCSD(T)-Energy: -1.745003 9 s 0.019429 0.044654 s 0.043476 0.138301 s 0.097283 0.169624 s 0.217685 -0.093894 s 0.487102 -0.247613 s 1.089961 0.160101 s 2.438947 -0.043595 s 5.457499 0.008684 s 12.211949 -0.001296 1 s 0.058772 1.000000 1 s 0.399132 1.000000 9 p 0.027297 0.079015 p 0.055025 0.109563 p 0.110920 0.096798 p 0.223593 -0.047473 p 0.450721 -0.171028 p 0.908566 0.104848 p 1.831493 -0.029516 p 3.691937 0.006196 p 7.442231 -0.000955 1 p 0.283264 1.000000 1 p 0.103874 1.000000 1 d 0.119806 1.000000 1 d 0.528269 1.000000 1 f 0.164546 1.000000'); INSERT INTO "data_tab" VALUES(2,'In','Element Symbol: In Basis-namevdz: vdz HF-Energy: -1.789168 CCSD(T)-Energy: -1.828073 9 s 0.048513 0.266560 s 0.104327 0.595345 s 0.224354 0.377654 s 0.482469 -0.036404 s 1.037542 -0.581005 s 2.231217 0.270265 s 4.798193 -0.053715 s 10.318430 0.008961 s 22.189605 -0.001283 1 s 0.024011 1.000000 9 p 0.024898 0.739358 p 0.052455 -0.048330 p 0.110513 0.414377 p 0.232832 0.046307 p 0.490534 0.047980 p 1.033468 -0.124316 p 2.177331 0.037471 p 4.587245 -0.006011 p 9.664500 0.000835 1 p 0.022887 1.000000 1 d 0.136213 1.000000 '); INSERT INTO "data_tab" VALUES(3,'In','Element Symbol: In Basis-namevtz: vtz HF-Energy: -1.791298 CCSD(T)-Energy: -1.835936 9 s 0.048513 0.266560 s 0.104327 0.595345 s 0.224354 0.377654 s 0.482469 -0.036404 s 1.037542 -0.581005 s 2.231217 0.270265 s 4.798193 -0.053715 s 10.318430 0.008961 s 22.189605 -0.001283 1 s 0.061026 1.000000 1 s 0.254654 1.000000 9 p 0.024898 0.739358 p 0.052455 -0.048330 p 0.110513 0.414377 p 0.232832 0.046307 p 0.490534 0.047980 p 1.033468 -0.124316 p 2.177331 0.037471 p 4.587245 -0.006011 p 9.664500 0.000835 1 p 0.023836 1.000000 1 p 0.047183 1.000000 1 d 0.092239 1.000000 1 d 0.190116 1.000000 1 f 0.255751 1.000000'); INSERT INTO "data_tab" VALUES(2,'Sn','Element Symbol: Sn Basis-namevdz: vdz HF-Energy: -3.244277 CCSD(T)-Energy: -3.297181 9 s 0.059000 0.238882 s 0.124327 0.598806 s 0.261986 0.422531 s 0.552065 -0.035727 s 1.163330 -0.631790 s 2.451407 0.294297 s 5.165685 -0.057592 s 10.885303 0.009333 s 22.937872 -0.001298 1 s 0.031199 1.000000 9 p 0.030513 0.083958 p 0.063306 0.340660 p 0.131342 0.458257 p 0.272497 0.257950 p 0.565351 0.020922 p 1.172938 -0.189121 p 2.433504 0.054068 p 5.048810 -0.007013 p 10.474808 0.000749 1 p 0.058385 1.000000 1 d 0.170348 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Sn','Element Symbol: Sn Basis-namevtz: vtz HF-Energy: -3.244331 CCSD(T)-Energy: -3.308613 9 s 0.059000 0.238882 s 0.124327 0.598806 s 0.261986 0.422531 s 0.552065 -0.035727 s 1.163330 -0.631790 s 2.451407 0.294297 s 5.165685 -0.057592 s 10.885303 0.009333 s 22.937872 -0.001298 1 s 0.078210 1.000000 1 s 0.308424 1.000000 9 p 0.030513 0.083958 p 0.063306 0.340660 p 0.131342 0.458257 p 0.272497 0.257950 p 0.565351 0.020922 p 1.172938 -0.189121 p 2.433504 0.054068 p 5.048810 -0.007013 p 10.474808 0.000749 1 p 0.064892 1.000000 1 p 0.376619 1.000000 1 d 0.107845 1.000000 1 d 0.223450 1.000000 1 f 0.281256 1.000000'); INSERT INTO "data_tab" VALUES(2,'Sb','Element Symbol: Sb Basis-namevdz: vdz HF-Energy: -5.283212 CCSD(T)-Energy: -5.345312 9 s 0.069280 0.217459 s 0.143940 0.599932 s 0.299056 0.459407 s 0.621332 -0.042472 s 1.290905 -0.650362 s 2.682040 0.298333 s 5.572320 -0.056893 s 11.577290 0.009102 s 24.053472 -0.001255 1 s 0.037942 1.000000 9 p 0.040092 0.081712 p 0.080679 0.322605 p 0.162356 0.464722 p 0.326720 0.277088 p 0.657481 0.009090 p 1.323093 -0.194825 p 2.662550 0.054392 p 5.358030 -0.006455 p 10.782327 0.000629 1 p 0.073629 1.000000 1 d 0.210604 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Sb','Element Symbol: Sb Basis-namevtz: vtz HF-Energy: -5.283212 CCSD(T)-Energy: -5.364895 9 s 0.069280 0.217459 s 0.143940 0.599932 s 0.299056 0.459407 s 0.621332 -0.042472 s 1.290905 -0.650362 s 2.682040 0.298333 s 5.572320 -0.056893 s 11.577290 0.009102 s 24.053472 -0.001255 1 s 0.095057 1.000000 1 s 0.381961 1.000000 9 p 0.040092 0.081712 p 0.080679 0.322605 p 0.162356 0.464722 p 0.326720 0.277088 p 0.657481 0.009090 p 1.323093 -0.194825 p 2.662550 0.054392 p 5.358030 -0.006455 p 10.782327 0.000629 1 p 0.444761 1.000000 1 p 0.083227 1.000000 1 d 0.132431 1.000000 1 d 0.277357 1.000000 1 f 0.335242 1.000000'); INSERT INTO "data_tab" VALUES(2,'Te','Element Symbol: Te Basis-namevdz: vdz HF-Energy: -7.872220 CCSD(T)-Energy: -7.950924 9 s 0.075142 0.172506 s 0.157584 0.588177 s 0.330475 0.542659 s 0.693051 -0.103930 s 1.453424 -0.570963 s 3.048032 0.239627 s 6.392144 -0.037900 s 13.405211 0.005057 s 28.112581 -0.000643 1 s 0.045193 1.000000 9 p 0.044821 0.059581 p 0.089826 0.289200 p 0.180021 0.467423 p 0.360780 0.331776 p 0.723040 0.005406 p 1.449048 -0.191721 p 2.904042 0.045538 p 5.820001 -0.003600 p 11.663885 0.000205 1 p 0.080058 1.000000 1 d 0.238566 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Te','Element Symbol: Te Basis-namevtz: vtz HF-Energy: -7.873626 CCSD(T)-Energy: -7.988770 9 s 0.075142 0.172506 s 0.157584 0.588177 s 0.330475 0.542659 s 0.693051 -0.103930 s 1.453424 -0.570963 s 3.048032 0.239627 s 6.392144 -0.037900 s 13.405211 0.005057 s 28.112581 -0.000643 1 s 0.104759 1.000000 1 s 0.409341 1.000000 9 p 0.044821 0.059581 p 0.089826 0.289200 p 0.180021 0.467423 p 0.360780 0.331776 p 0.723040 0.005406 p 1.449048 -0.191721 p 2.904042 0.045538 p 5.820001 -0.003600 p 11.663885 0.000205 1 p 0.083068 1.000000 1 p 0.468540 1.000000 1 d 0.156856 1.000000 1 d 0.310218 1.000000 1 f 0.355218 1.000000'); INSERT INTO "data_tab" VALUES(2,'I','Element Symbol: I Basis-namevdz: vdz HF-Energy: -11.178777 CCSD(T)-Energy: -11.270900 9 s 0.093293 0.205902 s 0.193211 0.623144 s 0.400142 0.491788 s 0.828698 -0.113418 s 1.716243 -0.678442 s 3.554356 0.356660 s 7.361107 -0.078676 s 15.244927 0.013475 s 31.572396 -0.001859 1 s 0.047406 1.000000 9 p 0.056487 0.112792 p 0.113038 0.317009 p 0.226204 0.456514 p 0.452663 0.284746 p 0.905837 -0.012076 p 1.812697 -0.230182 p 3.627439 0.082214 p 7.258973 -0.012492 p 14.526139 0.001285 1 p 0.088978 1.000000 1 d 0.269408 1.000000 '); INSERT INTO "data_tab" VALUES(3,'I','Element Symbol: I Basis-namevtz: vtz HF-Energy: -11.180081 CCSD(T)-Energy: -11.325501 9 s 0.093293 0.205902 s 0.193211 0.623144 s 0.400142 0.491788 s 0.828698 -0.113418 s 1.716243 -0.678442 s 3.554356 0.356660 s 7.361107 -0.078676 s 15.244927 0.013475 s 31.572396 -0.001859 1 s 0.130955 1.000000 1 s 0.352610 1.000000 9 p 0.056487 0.112792 p 0.113038 0.317009 p 0.226204 0.456514 p 0.452663 0.284746 p 0.905837 -0.012076 p 1.812697 -0.230182 p 3.627439 0.082214 p 7.258973 -0.012492 p 14.526139 0.001285 1 p 0.107932 1.000000 1 p 0.587427 1.000000 1 d 0.189832 1.000000 1 d 0.346633 1.000000 1 f 0.430486 1.000000'); INSERT INTO "data_tab" VALUES(2,'Xe','Element Symbol: Xe Basis-namevdz: vdz HF-Energy: -15.276046 CCSD(T)-Energy: -15.367146 9 s 0.102640 0.191464 s 0.213839 0.622770 s 0.445507 0.534309 s 0.928158 -0.198001 s 1.933703 -0.566409 s 4.028632 0.286498 s 8.393159 -0.056363 s 17.486112 0.008649 s 36.430159 -0.001133 1 s 0.476026 1.000000 9 p 0.064650 0.098971 p 0.128837 0.311502 p 0.256753 0.460882 p 0.511669 0.309078 p 1.019678 -0.040260 p 2.032062 -0.202851 p 4.049587 0.067000 p 8.070204 -0.008468 p 16.082675 0.000710 1 p 0.404825 1.000000 1 d 0.299432 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Xe','Element Symbol: Xe Basis-namevtz: vtz HF-Energy: -15.276046 CCSD(T)-Energy: -15.445559 9 s 0.102640 0.191464 s 0.213839 0.622770 s 0.445507 0.534309 s 0.928158 -0.198001 s 1.933703 -0.566409 s 4.028632 0.286498 s 8.393159 -0.056363 s 17.486112 0.008649 s 36.430159 -0.001133 1 s 0.141271 1.000000 1 s 0.525354 1.000000 9 p 0.064650 0.098971 p 0.128837 0.311502 p 0.256753 0.460882 p 0.511669 0.309078 p 1.019678 -0.040260 p 2.032062 -0.202851 p 4.049587 0.067000 p 8.070204 -0.008468 p 16.082675 0.000710 1 p 0.129211 1.000000 1 p 0.655418 1.000000 1 d 0.226214 1.000000 1 d 0.397375 1.000000 1 f 0.496836 1.000000'); INSERT INTO "data_tab" VALUES(2,'Cs','Element Symbol: Cs Basis-namevdz: vdz HF-Energy: -0.127674 CCSD(T)-Energy: -0.127674 9 s 0.011442 0.303329 s 0.025922 0.824883 s 0.058728 0.058011 s 0.133054 -0.209752 s 0.301446 -0.290149 s 0.682952 0.194247 s 1.547285 -0.052400 s 3.505507 0.010597 s 7.942027 -0.001633 1 s 0.031425 1.000000 9 p 0.008763 0.107173 p 0.019961 0.250585 p 0.045467 -0.348843 p 0.103563 0.160806 p 0.235895 -0.011956 p 0.537318 -0.001447 p 1.223896 -0.000973 p 2.787774 0.000658 p 6.349954 -0.000179 1 p 0.187114 1.000000 1 d 0.105800 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Cs','Element Symbol: Cs Basis-namevtz: vtz HF-Energy: -0.127674 CCSD(T)-Energy: -0.127674 9 s 0.011442 0.303329 s 0.025922 0.824883 s 0.058728 0.058011 s 0.133054 -0.209752 s 0.301446 -0.290149 s 0.682952 0.194247 s 1.547285 -0.052400 s 3.505507 0.010597 s 7.942027 -0.001633 1 s 0.030554 1.000000 1 s 0.113847 1.000000 9 p 0.008763 0.107173 p 0.019961 0.250585 p 0.045467 -0.348843 p 0.103563 0.160806 p 0.235895 -0.011956 p 0.537318 -0.001447 p 1.223896 -0.000973 p 2.787774 0.000658 p 6.349954 -0.000179 1 p 0.014390 1.000000 1 p 0.116111 1.000000 1 d 0.055589 1.000000 1 d 0.241832 1.000000 1 f 0.180414 1.000000'); INSERT INTO "data_tab" VALUES(2,'Ba','Element Symbol: Ba Basis-namevdz: vdz HF-Energy: -1.610170 CCSD(T)-Energy: -1.675304 9 s 0.026951 0.124528 s 0.061991 0.149294 s 0.142589 0.000545 s 0.327978 -0.296677 s 0.754402 0.159361 s 1.735248 -0.038868 s 3.991352 0.007982 s 9.180759 -0.001801 s 21.117236 0.000323 1 s 0.074407 1.000000 9 p 0.004072 0.001465 p 0.009364 -0.008152 p 0.021535 0.082879 p 0.049525 0.134238 p 0.113895 0.044910 p 0.261930 -0.204506 p 0.602371 0.071512 p 1.385297 -0.012600 p 3.185823 0.001672 1 p 0.082723 1.000000 1 d 0.290433 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Ba','Element Symbol: Ba Basis-namevtz: vtz HF-Energy: -1.614237 CCSD(T)-Energy: -1.682836 9 s 0.026951 0.124528 s 0.061991 0.149294 s 0.142589 0.000545 s 0.327978 -0.296677 s 0.754402 0.159361 s 1.735248 -0.038868 s 3.991352 0.007982 s 9.180759 -0.001801 s 21.117236 0.000323 1 s 0.046036 1.000000 1 s 0.358001 1.000000 9 p 0.004072 0.001465 p 0.009364 -0.008152 p 0.021535 0.082879 p 0.049525 0.134238 p 0.113895 0.044910 p 0.261930 -0.204506 p 0.602371 0.071512 p 1.385297 -0.012600 p 3.185823 0.001672 1 p 0.179177 1.000000 1 p 0.108351 1.000000 1 d 0.083501 1.000000 1 d 0.336189 1.000000 1 f 0.166563 1.000000'); INSERT INTO "data_tab" VALUES(2,'Tl','Element Symbol: Tl Basis-namevdz: vdz HF-Energy: -1.885092 CCSD(T)-Energy: -1.914322 9 s 0.062145 0.342000 s 0.123848 0.545081 s 0.246813 0.349532 s 0.491866 0.191962 s 0.980226 -1.133349 s 1.953465 0.667322 s 3.893007 -0.183402 s 7.758267 0.036089 s 15.461238 -0.005048 1 s 0.093384 1.000000 9 p 0.026802 0.849514 p 0.054580 -0.193930 p 0.111148 0.480000 p 0.226344 -0.014563 p 0.460933 0.099645 p 0.938656 -0.202294 p 1.911505 0.080577 p 3.892639 -0.016631 p 7.927075 0.002321 1 p 0.022400 1.000000 1 d 0.118701 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Tl','Element Symbol: Tl Basis-namevtz: vtz HF-Energy: -1.882960 CCSD(T)-Energy: -1.920596 9 s 0.062145 0.342000 s 0.123848 0.545081 s 0.246813 0.349532 s 0.491866 0.191962 s 0.980226 -1.133349 s 1.953465 0.667322 s 3.893007 -0.183402 s 7.758267 0.036089 s 15.461238 -0.005048 1 s 0.068675 1.000000 1 s 0.224321 1.000000 9 p 0.026802 0.849514 p 0.054580 -0.193930 p 0.111148 0.480000 p 0.226344 -0.014563 p 0.460933 0.099645 p 0.938656 -0.202294 p 1.911505 0.080577 p 3.892639 -0.016631 p 7.927075 0.002321 1 p 0.028046 1.000000 1 p 0.141424 1.000000 1 d 0.149051 1.000000 1 d 0.594749 1.000000 1 f 0.231618 1.000000'); INSERT INTO "data_tab" VALUES(2,'Pb','Element Symbol: Pb Basis-namevdz: vdz HF-Energy: -3.307080 CCSD(T)-Energy: -3.347796 9 s 0.073981 0.324264 s 0.147087 0.571155 s 0.292431 0.374051 s 0.581400 0.124749 s 1.155914 -1.112721 s 2.298139 0.681231 s 4.569061 -0.191716 s 9.084013 0.037806 s 18.060446 -0.005225 1 s 0.027053 1.000000 9 p 0.036515 0.171402 p 0.072248 0.355473 p 0.142946 0.438265 p 0.282828 0.182315 p 0.559594 0.038526 p 1.107191 -0.295227 p 2.190647 0.129708 p 4.334333 -0.025877 p 8.575748 0.003106 1 p 0.050333 1.000000 1 d 0.143903 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Pb','Element Symbol: Pb Basis-namevtz: vtz HF-Energy: -3.307077 CCSD(T)-Energy: -3.359866 9 s 0.073981 0.324264 s 0.147087 0.571155 s 0.292431 0.374051 s 0.581400 0.124749 s 1.155914 -1.112721 s 2.298139 0.681231 s 4.569061 -0.191716 s 9.084013 0.037806 s 18.060446 -0.005225 1 s 0.093738 1.000000 1 s 0.216294 1.000000 9 p 0.036515 0.171402 p 0.072248 0.355473 p 0.142946 0.438265 p 0.282828 0.182315 p 0.559594 0.038526 p 1.107191 -0.295227 p 2.190647 0.129708 p 4.334333 -0.025877 p 8.575748 0.003106 1 p 0.364049 1.000000 1 p 0.064386 1.000000 1 d 0.172323 1.000000 1 d 0.607293 1.000000 1 f 0.238404 1.000000'); INSERT INTO "data_tab" VALUES(2,'Bi','Element Symbol: Bi Basis-namevdz: vdz HF-Energy: -5.265446 CCSD(T)-Energy: -5.312492 9 s 0.082248 0.282386 s 0.164490 0.593494 s 0.328968 0.424216 s 0.657912 0.038472 s 1.315777 -0.999227 s 2.631462 0.598472 s 5.262739 -0.160394 s 10.525107 0.030465 s 21.049473 -0.004168 1 s 0.033232 1.000000 9 p 0.044793 0.143664 p 0.087289 0.347153 p 0.170104 0.460130 p 0.331490 0.210922 p 0.645988 0.005175 p 1.258866 -0.293261 p 2.453207 0.131047 p 4.780671 -0.025394 p 9.316301 0.002893 1 p 0.061071 1.000000 1 d 0.168534 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Bi','Element Symbol: Bi Basis-namevtz: vtz HF-Energy: -5.265442 CCSD(T)-Energy: -5.331111 9 s 0.082248 0.282386 s 0.164490 0.593494 s 0.328968 0.424216 s 0.657912 0.038472 s 1.315777 -0.999227 s 2.631462 0.598472 s 5.262739 -0.160394 s 10.525107 0.030465 s 21.049473 -0.004168 1 s 0.106821 1.000000 1 s 0.302685 1.000000 9 p 0.044793 0.143664 p 0.087289 0.347153 p 0.170104 0.460130 p 0.331490 0.210922 p 0.645988 0.005175 p 1.258866 -0.293261 p 2.453207 0.131047 p 4.780671 -0.025394 p 9.316301 0.002893 1 p 0.418167 1.000000 1 p 0.080749 1.000000 1 d 0.202607 1.000000 1 d 0.774412 1.000000 1 f 0.256449 1.000000'); INSERT INTO "data_tab" VALUES(2,'Po','Element Symbol: Po Basis-namevdz: vdz HF-Energy: -7.719173 CCSD(T)-Energy: -7.776804 9 s 0.088283 0.231892 s 0.178248 0.604604 s 0.359891 0.486838 s 0.726636 -0.020877 s 1.467111 -0.915693 s 2.962164 0.530287 s 5.980742 -0.134624 s 12.075388 0.024651 s 24.380753 -0.003353 1 s 0.037768 1.000000 9 p 0.044924 0.081132 p 0.089086 0.312154 p 0.176659 0.485758 p 0.350319 0.289954 p 0.694690 -0.005099 p 1.377585 -0.290284 p 2.731780 0.120724 p 5.417177 -0.021788 p 10.742374 0.002411 1 p 0.062466 1.000000 1 d 0.180317 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Po','Element Symbol: Po Basis-namevtz: vtz HF-Energy: -7.720131 CCSD(T)-Energy: -7.811554 9 s 0.088283 0.231892 s 0.178248 0.604604 s 0.359891 0.486838 s 0.726636 -0.020877 s 1.467111 -0.915693 s 2.962164 0.530287 s 5.980742 -0.134624 s 12.075388 0.024651 s 24.380753 -0.003353 1 s 0.121540 1.000000 1 s 0.294130 1.000000 9 p 0.044924 0.081132 p 0.089086 0.312154 p 0.176659 0.485758 p 0.350319 0.289954 p 0.694690 -0.005099 p 1.377585 -0.290284 p 2.731780 0.120724 p 5.417177 -0.021788 p 10.742374 0.002411 1 p 0.085474 1.000000 1 p 0.447719 1.000000 1 d 0.223321 1.000000 1 d 0.766801 1.000000 1 f 0.260178 1.000000'); INSERT INTO "data_tab" VALUES(2,'At','Element Symbol: At Basis-namevdz: vdz HF-Energy: -10.819016 CCSD(T)-Energy: -10.889430 9 s 0.100143 0.225290 s 0.199361 0.601541 s 0.396881 0.515609 s 0.790095 -0.010167 s 1.572891 -0.996102 s 3.131250 0.588717 s 6.233573 -0.152415 s 12.409558 0.028000 s 24.704472 -0.003759 1 s 0.042701 1.000000 9 p 0.053678 0.126224 p 0.104254 0.308300 p 0.202485 0.458455 p 0.393270 0.283998 p 0.763818 0.007241 p 1.483503 -0.319237 p 2.881292 0.136193 p 5.596107 -0.024849 p 10.868879 0.002680 1 p 0.074570 1.000000 1 d 0.204779 1.000000 '); INSERT INTO "data_tab" VALUES(3,'At','Element Symbol: At Basis-namevtz: vtz HF-Energy: -10.820093 CCSD(T)-Energy: -10.936769 9 s 0.100143 0.225290 s 0.199361 0.601541 s 0.396881 0.515609 s 0.790095 -0.010167 s 1.572891 -0.996102 s 3.131250 0.588717 s 6.233573 -0.152415 s 12.409558 0.028000 s 24.704472 -0.003759 1 s 0.126317 1.000000 1 s 0.348625 1.000000 9 p 0.053678 0.126224 p 0.104254 0.308300 p 0.202485 0.458455 p 0.393270 0.283998 p 0.763818 0.007241 p 1.483503 -0.319237 p 2.881292 0.136193 p 5.596107 -0.024849 p 10.868879 0.002680 1 p 0.505772 1.000000 1 p 0.098494 1.000000 1 d 0.251072 1.000000 1 d 0.812390 1.000000 1 f 0.303469 1.000000'); INSERT INTO "data_tab" VALUES(2,'Rn','Element Symbol: Rn Basis-namevdz: vdz HF-Energy: -14.624183 CCSD(T)-Energy: -14.692789 9 s 0.107979 0.206817 s 0.216651 0.608890 s 0.434692 0.544015 s 0.872173 -0.082252 s 1.749941 -0.878709 s 3.511108 0.506465 s 7.044740 -0.124315 s 14.134673 0.021988 s 28.360021 -0.002930 1 s 0.459987 1.000000 9 p 0.061896 0.115991 p 0.119480 0.305963 p 0.230636 0.465939 p 0.445207 0.298902 p 0.859401 -0.018422 p 1.658936 -0.304231 p 3.202311 0.129646 p 6.181551 -0.022935 p 11.932499 0.002383 1 p 0.365679 1.000000 1 d 0.226604 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Rn','Element Symbol: Rn Basis-namevtz: vtz HF-Energy: -14.624183 CCSD(T)-Energy: -14.758992 9 s 0.107979 0.206817 s 0.216651 0.608890 s 0.434692 0.544015 s 0.872173 -0.082252 s 1.749941 -0.878709 s 3.511108 0.506465 s 7.044740 -0.124315 s 14.134673 0.021988 s 28.360021 -0.002930 1 s 0.139908 1.000000 1 s 0.407257 1.000000 9 p 0.061896 0.115991 p 0.119480 0.305963 p 0.230636 0.465939 p 0.445207 0.298902 p 0.859401 -0.018422 p 1.658936 -0.304231 p 3.202311 0.129646 p 6.181551 -0.022935 p 11.932499 0.002383 1 p 0.571486 1.000000 1 p 0.116353 1.000000 1 d 0.282444 1.000000 1 d 0.826899 1.000000 1 f 0.343560 1.000000'); INSERT INTO "data_tab" VALUES(2,'H','Element Symbol: H Basis-namevdz: vdz HF-Energy: -0.499045 CCSD(T)-Energy: -0.499045 9 s 0.013000 0.000706 s 0.029900 -0.002119 s 0.068770 0.057693 s 0.158170 0.230695 s 0.363792 0.277612 s 0.836721 0.169833 s 1.924458 0.097443 s 4.426254 0.029966 s 10.180385 -0.000452 1 s 0.170483 1.000000 9 p 0.003000 0.001242 p 0.007800 -0.000913 p 0.020281 -0.000054 p 0.052730 -0.000238 p 0.137097 -0.011530 p 0.356451 -0.018235 p 0.926774 -0.013929 p 2.409612 -0.009395 p 6.264991 -0.000347 '); INSERT INTO "data_tab" VALUES(3,'H','Element Symbol: H Basis-namevtz: vtz HF-Energy: -0.499043 CCSD(T)-Energy: -0.499043 9 s 0.013000 0.000706 s 0.029900 -0.002119 s 0.068770 0.057693 s 0.158170 0.230695 s 0.363792 0.277612 s 0.836721 0.169833 s 1.924458 0.097443 s 4.426254 0.029966 s 10.180385 -0.000452 1 s 0.170654 1.000000 9 p 0.003000 0.001242 p 0.007800 -0.000913 p 0.020281 -0.000054 p 0.052730 -0.000238 p 0.137097 -0.011530 p 0.356451 -0.018235 p 0.926774 -0.013929 p 2.409612 -0.009395 p 6.264991 -0.000347 1 p 0.495357 1.000000 1 d 0.955745 1.000000 '); INSERT INTO "data_tab" VALUES(4,'H','Element Symbol: H Basis-namevqz: vqz HF-Energy: -0.499916 CCSD(T)-Energy: -0.499916 9 s 0.013000 0.000706 s 0.029900 -0.002119 s 0.068770 0.057693 s 0.158170 0.230695 s 0.363792 0.277612 s 0.836721 0.169833 s 1.924458 0.097443 s 4.426254 0.029966 s 10.180385 -0.000452 1 s 0.120599 1.000000 1 s 0.404783 1.000000 1 s 0.715129 1.000000 9 p 0.003000 0.001242 p 0.007800 -0.000913 p 0.020281 -0.000054 p 0.052730 -0.000238 p 0.137097 -0.011530 p 0.356451 -0.018235 p 0.926774 -0.013929 p 2.409612 -0.009395 p 6.264991 -0.000347 1 p 0.774536 1.000000 1 p 0.263038 1.000000 1 d 2.315883 1.000000 1 d 0.636656 1.000000 1 f 1.130819 1.000000 '); INSERT INTO "data_tab" VALUES(5,'H','Element Symbol: H Basis-namev5z: v5z HF-Energy: -0.499905 CCSD(T)-Energy: -0.499905 9 s 0.013000 0.000706 s 0.029900 -0.002119 s 0.068770 0.057693 s 0.158170 0.230695 s 0.363792 0.277612 s 0.836721 0.169833 s 1.924458 0.097443 s 4.426254 0.029966 s 10.180385 -0.000452 1 s 0.122344 1.000000 1 s 0.402892 1.000000 1 s 0.715047 1.000000 1 s 1.379838 1.000000 9 p 0.003000 0.001242 p 0.007800 -0.000913 p 0.020281 -0.000054 p 0.052730 -0.000238 p 0.137097 -0.011530 p 0.356451 -0.018235 p 0.926774 -0.013929 p 2.409612 -0.009395 p 6.264991 -0.000347 1 p 0.784765 1.000000 1 p 0.173606 1.000000 1 p 0.513665 1.000000 1 d 2.917388 1.000000 1 d 0.466379 1.000000 1 d 1.132171 1.000000 1 f 1.649608 1.000000 1 f 0.793185 1.000000 1 g 1.606813 1.000000'); INSERT INTO "data_tab" VALUES(2,'He','Element Symbol: He Basis-namevdz: vdz HF-Energy: -2.861932 CCSD(T)-Energy: -2.878934 9 s 0.077786 0.012425 s 0.161528 0.128251 s 0.335425 0.282221 s 0.696535 0.292427 s 1.446408 0.215025 s 3.003576 0.125450 s 6.237154 0.064912 s 12.951926 0.038892 s 26.895662 0.002531 1 s 0.321750 1.000000 8 p 0.228528 -0.000116 p 0.422019 2.116950 p 0.779333 -2.182954 p 1.439180 1.545850 p 2.657706 -0.879477 p 4.907934 0.469710 p 9.063386 -0.224631 p 16.737180 0.098422 '); INSERT INTO "data_tab" VALUES(3,'He','Element Symbol: He Basis-namevtz: vtz HF-Energy: -2.861932 CCSD(T)-Energy: -2.898728 9 s 0.077786 0.012425 s 0.161528 0.128251 s 0.335425 0.282221 s 0.696535 0.292427 s 1.446408 0.215025 s 3.003576 0.125450 s 6.237154 0.064912 s 12.951926 0.038892 s 26.895662 0.002531 1 s 0.667868 1.000000 1 s 0.224485 1.000000 8 p 0.228528 -0.000116 p 0.422019 2.116950 p 0.779333 -2.182954 p 1.439180 1.545850 p 2.657706 -0.879477 p 4.907934 0.469710 p 9.063386 -0.224631 p 16.737180 0.098422 1 p 1.492028 1.000000 1 d 1.913792 1.000000 '); INSERT INTO "data_tab" VALUES(4,'He','Element Symbol: He Basis-namevqz: vqz HF-Energy: -2.861932 CCSD(T)-Energy: -2.902207 9 s 0.077786 0.012425 s 0.161528 0.128251 s 0.335425 0.282221 s 0.696535 0.292427 s 1.446408 0.215025 s 3.003576 0.125450 s 6.237154 0.064912 s 12.951926 0.038892 s 26.895662 0.002531 1 s 0.937228 1.000000 1 s 1.223567 1.000000 1 s 0.229163 1.000000 8 p 0.228528 -0.000116 p 0.422019 2.116950 p 0.779333 -2.182954 p 1.439180 1.545850 p 2.657706 -0.879477 p 4.907934 0.469710 p 9.063386 -0.224631 p 16.737180 0.098422 1 p 3.888767 1.000000 1 p 1.015492 1.000000 1 d 0.939402 1.000000 1 d 3.054371 1.000000 1 f 1.021427 1.000000 '); INSERT INTO "data_tab" VALUES(5,'He','Element Symbol: He Basis-namev5z: v5z HF-Energy: -2.861932 CCSD(T)-Energy: -2.902789 9 s 0.077786 0.012425 s 0.161528 0.128251 s 0.335425 0.282221 s 0.696535 0.292427 s 1.446408 0.215025 s 3.003576 0.125450 s 6.237154 0.064912 s 12.951926 0.038892 s 26.895662 0.002531 1 s 1.324312 1.000000 1 s 0.876976 1.000000 1 s 0.294075 1.000000 1 s 0.116506 1.000000 8 p 0.228528 -0.000116 p 0.422019 2.116950 p 0.779333 -2.182954 p 1.439180 1.545850 p 2.657706 -0.879477 p 4.907934 0.469710 p 9.063386 -0.224631 p 16.737180 0.098422 1 p 6.741009 1.000000 1 p 2.647340 1.000000 1 p 0.893850 1.000000 1 d 1.842278 1.000000 1 d 2.175208 1.000000 1 d 4.285515 1.000000 1 f 0.749734 1.000000 1 f 1.632074 1.000000 1 g 0.623669 1.000000'); INSERT INTO "data_tab" VALUES(2,'Li','Element Symbol: Li Basis-namevdz: vdz HF-Energy: -0.195611 CCSD(T)-Energy: -0.195611 9 s 0.010125 0.007841 s 0.023437 0.258118 s 0.054251 0.423307 s 0.125581 0.167825 s 0.290697 -0.068332 s 0.672909 -0.119269 s 1.557659 0.007736 s 3.605689 0.003630 s 8.346494 -0.000646 1 s 0.103721 1.000000 9 p 0.018300 -0.005906 p 0.031699 -0.031422 p 0.054908 -0.043628 p 0.095111 -0.016781 p 0.164751 -0.078594 p 0.285379 0.015562 p 0.494330 -0.030830 p 0.856273 0.006185 p 1.483225 -0.008621 1 p 0.070391 1.000000 1 d 0.110720 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Li','Element Symbol: Li Basis-namevtz: vtz HF-Energy: -0.196093 CCSD(T)-Energy: -0.196093 9 s 0.010125 0.007841 s 0.023437 0.258118 s 0.054251 0.423307 s 0.125581 0.167825 s 0.290697 -0.068332 s 0.672909 -0.119269 s 1.557659 0.007736 s 3.605689 0.003630 s 8.346494 -0.000646 1 s 0.026170 1.000000 1 s 0.132259 1.000000 9 p 0.018300 -0.005906 p 0.031699 -0.031422 p 0.054908 -0.043628 p 0.095111 -0.016781 p 0.164751 -0.078594 p 0.285379 0.015562 p 0.494330 -0.030830 p 0.856273 0.006185 p 1.483225 -0.008621 1 p 0.052959 1.000000 1 p 0.110075 1.000000 1 d 0.067795 1.000000 1 d 0.177140 1.000000 1 f 0.180758 1.000000 '); INSERT INTO "data_tab" VALUES(4,'Li','Element Symbol: Li Basis-namevqz: vqz HF-Energy: -0.196307 CCSD(T)-Energy: -0.196307 9 s 0.010125 0.007841 s 0.023437 0.258118 s 0.054251 0.423307 s 0.125581 0.167825 s 0.290697 -0.068332 s 0.672909 -0.119269 s 1.557659 0.007736 s 3.605689 0.003630 s 8.346494 -0.000646 1 s 0.024834 1.000000 1 s 0.109770 1.000000 1 s 0.519693 1.000000 9 p 0.018300 -0.005906 p 0.031699 -0.031422 p 0.054908 -0.043628 p 0.095111 -0.016781 p 0.164751 -0.078594 p 0.285379 0.015562 p 0.494330 -0.030830 p 0.856273 0.006185 p 1.483225 -0.008621 1 p 0.070662 1.000000 1 p 0.115823 1.000000 1 p 0.207505 1.000000 1 d 0.029817 1.000000 1 d 0.089353 1.000000 1 d 0.214990 1.000000 1 f 0.099930 1.000000 1 f 0.240323 1.000000 1 g 0.199570 1.000000 '); INSERT INTO "data_tab" VALUES(5,'Li','Element Symbol: Li Basis-namev5z: v5z HF-Energy: -0.196315 CCSD(T)-Energy: -0.196315 9 s 0.010125 0.007841 s 0.023437 0.258118 s 0.054251 0.423307 s 0.125581 0.167825 s 0.290697 -0.068332 s 0.672909 -0.119269 s 1.557659 0.007736 s 3.605689 0.003630 s 8.346494 -0.000646 1 s 0.025010 1.000000 1 s 0.104917 1.000000 1 s 0.670681 1.000000 1 s 1.004881 1.000000 9 p 0.018300 -0.005906 p 0.031699 -0.031422 p 0.054908 -0.043628 p 0.095111 -0.016781 p 0.164751 -0.078594 p 0.285379 0.015562 p 0.494330 -0.030830 p 0.856273 0.006185 p 1.483225 -0.008621 1 p 0.081041 1.000000 1 p 0.138470 1.000000 1 p 0.404355 1.000000 1 p 0.806184 1.000000 1 d 0.065574 1.000000 1 d 0.835758 1.000000 1 d 0.161784 1.000000 1 d 0.986350 1.000000 1 f 0.152988 1.000000 1 f 0.420698 1.000000 1 f 0.856748 1.000000 1 g 0.254479 1.000000 1 g 0.457496 1.000000'); INSERT INTO "data_tab" VALUES(2,'Be','Element Symbol: Be Basis-namevdz: vdz HF-Energy: -0.956838 CCSD(T)-Energy: -1.000525 9 s 0.030068 0.025105 s 0.054002 0.178890 s 0.096986 0.263939 s 0.174186 0.435946 s 0.312836 -0.008188 s 0.561850 0.049509 s 1.009077 -0.114576 s 1.812290 -0.067207 s 3.254852 0.017250 1 s 0.239392 1.000000 9 p 0.015064 0.735052 p 0.028584 -0.476214 p 0.054236 0.564806 p 0.102911 -0.108575 p 0.195269 0.233862 p 0.370513 -0.009003 p 0.703030 0.067510 p 1.333967 -0.002868 p 2.531139 0.017869 1 p 0.222969 1.000000 1 d 0.217340 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Be','Element Symbol: Be Basis-namevtz: vtz HF-Energy: -0.961729 CCSD(T)-Energy: -1.008436 9 s 0.030068 0.025105 s 0.054002 0.178890 s 0.096986 0.263939 s 0.174186 0.435946 s 0.312836 -0.008188 s 0.561850 0.049509 s 1.009077 -0.114576 s 1.812290 -0.067207 s 3.254852 0.017250 1 s 0.060913 1.000000 1 s 0.357735 1.000000 9 p 0.015064 0.735052 p 0.028584 -0.476214 p 0.054236 0.564806 p 0.102911 -0.108575 p 0.195269 0.233862 p 0.370513 -0.009003 p 0.703030 0.067510 p 1.333967 -0.002868 p 2.531139 0.017869 1 p 0.728274 1.000000 1 p 0.165173 1.000000 1 d 0.113241 1.000000 1 d 0.305198 1.000000 1 f 0.272841 1.000000 '); INSERT INTO "data_tab" VALUES(4,'Be','Element Symbol: Be Basis-namevqz: vqz HF-Energy: -0.961844 CCSD(T)-Energy: -1.009630 9 s 0.030068 0.025105 s 0.054002 0.178890 s 0.096986 0.263939 s 0.174186 0.435946 s 0.312836 -0.008188 s 0.561850 0.049509 s 1.009077 -0.114576 s 1.812290 -0.067207 s 3.254852 0.017250 1 s 0.012287 1.000000 1 s 0.175341 1.000000 1 s 1.244398 1.000000 9 p 0.015064 0.735052 p 0.028584 -0.476214 p 0.054236 0.564806 p 0.102911 -0.108575 p 0.195269 0.233862 p 0.370513 -0.009003 p 0.703030 0.067510 p 1.333967 -0.002868 p 2.531139 0.017869 1 p 0.317061 1.000000 1 p 1.585739 1.000000 1 p 0.108346 1.000000 1 d 0.125228 1.000000 1 d 0.801065 1.000000 1 d 0.301656 1.000000 1 f 0.153439 1.000000 1 f 0.377536 1.000000 1 g 0.338801 1.000000 '); INSERT INTO "data_tab" VALUES(5,'Be','Element Symbol: Be Basis-namev5z: v5z HF-Energy: -0.961942 CCSD(T)-Energy: -1.009970 9 s 0.030068 0.025105 s 0.054002 0.178890 s 0.096986 0.263939 s 0.174186 0.435946 s 0.312836 -0.008188 s 0.561850 0.049509 s 1.009077 -0.114576 s 1.812290 -0.067207 s 3.254852 0.017250 1 s 0.012778 1.000000 1 s 0.108807 1.000000 1 s 0.216157 1.000000 1 s 1.207279 1.000000 9 p 0.015064 0.735052 p 0.028584 -0.476214 p 0.054236 0.564806 p 0.102911 -0.108575 p 0.195269 0.233862 p 0.370513 -0.009003 p 0.703030 0.067510 p 1.333967 -0.002868 p 2.531139 0.017869 1 p 0.072561 1.000000 1 p 0.501715 1.000000 1 p 0.184471 1.000000 1 p 2.128672 1.000000 1 d 0.090175 1.000000 1 d 0.743653 1.000000 1 d 0.238494 1.000000 1 d 0.933001 1.000000 1 f 0.129140 1.000000 1 f 0.299150 1.000000 1 f 0.739023 1.000000 1 g 0.316080 1.000000 1 g 0.863442 1.000000 1 h 0.409080 1.000000'); INSERT INTO "data_tab" VALUES(2,'B','Element Symbol: B Basis-namevdz: vdz HF-Energy: -2.543713 CCSD(T)-Energy: -2.608984 9 s 0.040569 0.032031 s 0.081044 0.243317 s 0.161898 0.434636 s 0.323418 0.329581 s 0.646080 0.111875 s 1.290648 -0.078699 s 2.578276 -0.098781 s 5.150520 0.016164 s 10.288990 -0.000016 1 s 0.082513 1.000000 9 p 0.029207 0.019909 p 0.058408 0.141775 p 0.116803 0.294463 p 0.233582 0.309028 p 0.467115 0.236378 p 0.934132 0.131317 p 1.868068 0.066454 p 3.735743 0.021248 p 7.470701 0.002837 1 p 0.086803 1.000000 1 d 0.349879 1.000000 '); INSERT INTO "data_tab" VALUES(3,'B','Element Symbol: B Basis-namevtz: vtz HF-Energy: -2.543736 CCSD(T)-Energy: -2.617159 9 s 0.040569 0.032031 s 0.081044 0.243317 s 0.161898 0.434636 s 0.323418 0.329581 s 0.646080 0.111875 s 1.290648 -0.078699 s 2.578276 -0.098781 s 5.150520 0.016164 s 10.288990 -0.000016 1 s 0.626026 1.000000 1 s 0.092094 1.000000 9 p 0.029207 0.019909 p 0.058408 0.141775 p 0.116803 0.294463 p 0.233582 0.309028 p 0.467115 0.236378 p 0.934132 0.131317 p 1.868068 0.066454 p 3.735743 0.021248 p 7.470701 0.002837 1 p 0.082056 1.000000 1 p 0.235016 1.000000 1 d 0.207316 1.000000 1 d 0.699153 1.000000 1 f 0.478872 1.000000 '); INSERT INTO "data_tab" VALUES(4,'B','Element Symbol: B Basis-namevqz: vqz HF-Energy: -2.543755 CCSD(T)-Energy: -2.618972 9 s 0.040569 0.032031 s 0.081044 0.243317 s 0.161898 0.434636 s 0.323418 0.329581 s 0.646080 0.111875 s 1.290648 -0.078699 s 2.578276 -0.098781 s 5.150520 0.016164 s 10.288990 -0.000016 1 s 0.082968 1.000000 1 s 0.305133 1.000000 1 s 0.422217 1.000000 9 p 0.029207 0.019909 p 0.058408 0.141775 p 0.116803 0.294463 p 0.233582 0.309028 p 0.467115 0.236378 p 0.934132 0.131317 p 1.868068 0.066454 p 3.735743 0.021248 p 7.470701 0.002837 1 p 0.066445 1.000000 1 p 0.196614 1.000000 1 p 0.447031 1.000000 1 d 0.149100 1.000000 1 d 0.410733 1.000000 1 d 1.142614 1.000000 1 f 0.315902 1.000000 1 f 0.870011 1.000000 1 g 0.710746 1.000000 '); INSERT INTO "data_tab" VALUES(5,'B','Element Symbol: B Basis-namev5z: v5z HF-Energy: -2.543756 CCSD(T)-Energy: -2.619409 9 s 0.040569 0.032031 s 0.081044 0.243317 s 0.161898 0.434636 s 0.323418 0.329581 s 0.646080 0.111875 s 1.290648 -0.078699 s 2.578276 -0.098781 s 5.150520 0.016164 s 10.288990 -0.000016 1 s 0.070664 1.000000 1 s 0.170896 1.000000 1 s 0.375720 1.000000 1 s 0.614105 1.000000 9 p 0.029207 0.019909 p 0.058408 0.141775 p 0.116803 0.294463 p 0.233582 0.309028 p 0.467115 0.236378 p 0.934132 0.131317 p 1.868068 0.066454 p 3.735743 0.021248 p 7.470701 0.002837 1 p 0.057917 1.000000 1 p 0.143772 1.000000 1 p 0.436327 1.000000 1 p 0.566611 1.000000 1 d 0.134838 1.000000 1 d 0.380163 1.000000 1 d 0.808233 1.000000 1 d 1.022256 1.000000 1 f 0.272717 1.000000 1 f 0.799174 1.000000 1 f 1.002171 1.000000 1 g 0.486131 1.000000 1 g 0.824366 1.000000 1 h 0.632779 1.000000'); INSERT INTO "data_tab" VALUES(2,'C','Element Symbol: C Basis-namevdz: vdz HF-Energy: -5.328990 CCSD(T)-Energy: -5.409230 9 s 0.051344 0.013991 s 0.102619 0.169852 s 0.205100 0.397529 s 0.409924 0.380369 s 0.819297 0.180113 s 1.637494 -0.033512 s 3.272791 -0.121499 s 6.541187 0.015176 s 13.073594 -0.000705 1 s 0.127852 1.000000 9 p 0.029281 0.001787 p 0.058547 0.050426 p 0.117063 0.191634 p 0.234064 0.302667 p 0.468003 0.289868 p 0.935757 0.210979 p 1.871016 0.112024 p 3.741035 0.054425 p 7.480076 0.021931 1 p 0.149161 1.000000 1 d 0.561161 1.000000 '); INSERT INTO "data_tab" VALUES(3,'C','Element Symbol: C Basis-namevtz: vtz HF-Energy: -5.329011 CCSD(T)-Energy: -5.427351 9 s 0.051344 0.013991 s 0.102619 0.169852 s 0.205100 0.397529 s 0.409924 0.380369 s 0.819297 0.180113 s 1.637494 -0.033512 s 3.272791 -0.121499 s 6.541187 0.015176 s 13.073594 -0.000705 1 s 0.921552 1.000000 1 s 0.132800 1.000000 9 p 0.029281 0.001787 p 0.058547 0.050426 p 0.117063 0.191634 p 0.234064 0.302667 p 0.468003 0.289868 p 0.935757 0.210979 p 1.871016 0.112024 p 3.741035 0.054425 p 7.480076 0.021931 1 p 0.126772 1.000000 1 p 0.376742 1.000000 1 d 0.329486 1.000000 1 d 1.141611 1.000000 1 f 0.773485 1.000000 '); INSERT INTO "data_tab" VALUES(4,'C','Element Symbol: C Basis-namevqz: vqz HF-Energy: -5.329029 CCSD(T)-Energy: -5.431486 9 s 0.051344 0.013991 s 0.102619 0.169852 s 0.205100 0.397529 s 0.409924 0.380369 s 0.819297 0.180113 s 1.637494 -0.033512 s 3.272791 -0.121499 s 6.541187 0.015176 s 13.073594 -0.000705 1 s 0.109576 1.000000 1 s 0.846879 1.000000 1 s 0.269659 1.000000 9 p 0.029281 0.001787 p 0.058547 0.050426 p 0.117063 0.191634 p 0.234064 0.302667 p 0.468003 0.289868 p 0.935757 0.210979 p 1.871016 0.112024 p 3.741035 0.054425 p 7.480076 0.021931 1 p 0.105389 1.000000 1 p 0.313254 1.000000 1 p 0.804681 1.000000 1 d 0.240171 1.000000 1 d 0.684884 1.000000 1 d 2.013760 1.000000 1 f 0.457302 1.000000 1 f 1.324930 1.000000 1 g 1.034180 1.000000 '); INSERT INTO "data_tab" VALUES(5,'C','Element Symbol: C Basis-namev5z: v5z HF-Energy: -5.329030 CCSD(T)-Energy: -5.432494 9 s 0.051344 0.013991 s 0.102619 0.169852 s 0.205100 0.397529 s 0.409924 0.380369 s 0.819297 0.180113 s 1.637494 -0.033512 s 3.272791 -0.121499 s 6.541187 0.015176 s 13.073594 -0.000705 1 s 0.098302 1.000000 1 s 0.232034 1.000000 1 s 0.744448 1.000000 1 s 1.009914 1.000000 9 p 0.029281 0.001787 p 0.058547 0.050426 p 0.117063 0.191634 p 0.234064 0.302667 p 0.468003 0.289868 p 0.935757 0.210979 p 1.871016 0.112024 p 3.741035 0.054425 p 7.480076 0.021931 1 p 0.084047 1.000000 1 p 0.216618 1.000000 1 p 0.576869 1.000000 1 p 1.006252 1.000000 1 d 0.206619 1.000000 1 d 0.606933 1.000000 1 d 1.001526 1.000000 1 d 1.504882 1.000000 1 f 0.400573 1.000000 1 f 1.099564 1.000000 1 f 1.501091 1.000000 1 g 0.797648 1.000000 1 g 1.401343 1.000000 1 h 1.001703 1.000000'); INSERT INTO "data_tab" VALUES(2,'N','Element Symbol: N Basis-namevdz: vdz HF-Energy: -9.668376 CCSD(T)-Energy: -9.760290 9 s 0.098869 0.067266 s 0.211443 0.334290 s 0.452197 0.454257 s 0.967080 0.267861 s 2.068221 0.000248 s 4.423150 -0.132606 s 9.459462 0.014437 s 20.230246 0.000359 s 43.264919 -0.000094 1 s 0.175123 1.000000 9 p 0.073234 0.035758 p 0.145867 0.153945 p 0.290535 0.277656 p 0.578683 0.297676 p 1.152612 0.234403 p 2.295756 0.140321 p 4.572652 0.067219 p 9.107739 0.031594 p 18.140657 0.003301 1 p 0.223042 1.000000 1 d 0.832058 1.000000 '); INSERT INTO "data_tab" VALUES(3,'N','Element Symbol: N Basis-namevtz: vtz HF-Energy: -9.668376 CCSD(T)-Energy: -9.790402 9 s 0.098869 0.067266 s 0.211443 0.334290 s 0.452197 0.454257 s 0.967080 0.267861 s 2.068221 0.000248 s 4.423150 -0.132606 s 9.459462 0.014437 s 20.230246 0.000359 s 43.264919 -0.000094 1 s 1.202183 1.000000 1 s 0.163243 1.000000 9 p 0.073234 0.035758 p 0.145867 0.153945 p 0.290535 0.277656 p 0.578683 0.297676 p 1.152612 0.234403 p 2.295756 0.140321 p 4.572652 0.067219 p 9.107739 0.031594 p 18.140657 0.003301 1 p 0.170104 1.000000 1 p 0.517547 1.000000 1 d 0.483567 1.000000 1 d 1.712416 1.000000 1 f 1.093097 1.000000 '); INSERT INTO "data_tab" VALUES(4,'N','Element Symbol: N Basis-namevqz: vqz HF-Energy: -9.668376 CCSD(T)-Energy: -9.797800 9 s 0.098869 0.067266 s 0.211443 0.334290 s 0.452197 0.454257 s 0.967080 0.267861 s 2.068221 0.000248 s 4.423150 -0.132606 s 9.459462 0.014437 s 20.230246 0.000359 s 43.264919 -0.000094 1 s 0.135764 1.000000 1 s 0.310826 1.000000 1 s 1.625001 1.000000 9 p 0.073234 0.035758 p 0.145867 0.153945 p 0.290535 0.277656 p 0.578683 0.297676 p 1.152612 0.234403 p 2.295756 0.140321 p 4.572652 0.067219 p 9.107739 0.031594 p 18.140657 0.003301 1 p 0.140736 1.000000 1 p 0.413103 1.000000 1 p 1.020750 1.000000 1 d 0.346233 1.000000 1 d 1.009895 1.000000 1 d 3.028459 1.000000 1 f 0.691129 1.000000 1 f 2.024747 1.000000 1 g 1.357512 1.000000 '); INSERT INTO "data_tab" VALUES(5,'N','Element Symbol: N Basis-namev5z: v5z HF-Energy: -9.668376 CCSD(T)-Energy: -9.799731 9 s 0.098869 0.067266 s 0.211443 0.334290 s 0.452197 0.454257 s 0.967080 0.267861 s 2.068221 0.000248 s 4.423150 -0.132606 s 9.459462 0.014437 s 20.230246 0.000359 s 43.264919 -0.000094 1 s 0.115320 1.000000 1 s 0.286632 1.000000 1 s 0.702011 1.000000 1 s 1.532221 1.000000 9 p 0.073234 0.035758 p 0.145867 0.153945 p 0.290535 0.277656 p 0.578683 0.297676 p 1.152612 0.234403 p 2.295756 0.140321 p 4.572652 0.067219 p 9.107739 0.031594 p 18.140657 0.003301 1 p 0.120601 1.000000 1 p 0.322697 1.000000 1 p 0.978538 1.000000 1 p 1.272759 1.000000 1 d 0.305579 1.000000 1 d 0.891436 1.000000 1 d 1.542532 1.000000 1 d 2.798122 1.000000 1 f 0.587676 1.000000 1 f 1.592967 1.000000 1 f 2.443045 1.000000 1 g 1.038637 1.000000 1 g 2.842018 1.000000 1 h 2.272542 1.000000'); INSERT INTO "data_tab" VALUES(2,'O','Element Symbol: O Basis-namevdz: vdz HF-Energy: -15.705942 CCSD(T)-Energy: -15.829790 9 s 0.125346 0.055741 s 0.268022 0.304848 s 0.573098 0.453752 s 1.225429 0.295926 s 2.620277 0.019567 s 5.602818 -0.128627 s 11.980245 0.012024 s 25.616801 0.000407 s 54.775216 -0.000076 1 s 0.258551 1.000000 9 p 0.083598 0.044958 p 0.167017 0.150175 p 0.333673 0.255999 p 0.666627 0.281879 p 1.331816 0.242835 p 2.660761 0.161134 p 5.315785 0.082308 p 10.620108 0.039899 p 21.217318 0.004679 1 p 0.267865 1.000000 1 d 1.232753 1.000000 '); INSERT INTO "data_tab" VALUES(3,'O','Element Symbol: O Basis-namevtz: vtz HF-Energy: -15.708001 CCSD(T)-Energy: -15.882045 9 s 0.125346 0.055741 s 0.268022 0.304848 s 0.573098 0.453752 s 1.225429 0.295926 s 2.620277 0.019567 s 5.602818 -0.128627 s 11.980245 0.012024 s 25.616801 0.000407 s 54.775216 -0.000076 1 s 1.686633 1.000000 1 s 0.237997 1.000000 9 p 0.083598 0.044958 p 0.167017 0.150175 p 0.333673 0.255999 p 0.666627 0.281879 p 1.331816 0.242835 p 2.660761 0.161134 p 5.315785 0.082308 p 10.620108 0.039899 p 21.217318 0.004679 1 p 0.184696 1.000000 1 p 0.600621 1.000000 1 d 0.669340 1.000000 1 d 2.404278 1.000000 1 f 1.423104 1.000000 '); INSERT INTO "data_tab" VALUES(4,'O','Element Symbol: O Basis-namevqz: vqz HF-Energy: -15.708382 CCSD(T)-Energy: -15.897021 9 s 0.125346 0.055741 s 0.268022 0.304848 s 0.573098 0.453752 s 1.225429 0.295926 s 2.620277 0.019567 s 5.602818 -0.128627 s 11.980245 0.012024 s 25.616801 0.000407 s 54.775216 -0.000076 1 s 0.224380 1.000000 1 s 0.843157 1.000000 1 s 1.351771 1.000000 9 p 0.083598 0.044958 p 0.167017 0.150175 p 0.333673 0.255999 p 0.666627 0.281879 p 1.331816 0.242835 p 2.660761 0.161134 p 5.315785 0.082308 p 10.620108 0.039899 p 21.217318 0.004679 1 p 0.148562 1.000000 1 p 0.452364 1.000000 1 p 1.106737 1.000000 1 d 0.455711 1.000000 1 d 1.344331 1.000000 1 d 4.008867 1.000000 1 f 0.876289 1.000000 1 f 2.763115 1.000000 1 g 1.759081 1.000000 '); INSERT INTO "data_tab" VALUES(5,'O','Element Symbol: O Basis-namev5z: v5z HF-Energy: -15.708447 CCSD(T)-Energy: -15.901660 9 s 0.125346 0.055741 s 0.268022 0.304848 s 0.573098 0.453752 s 1.225429 0.295926 s 2.620277 0.019567 s 5.602818 -0.128627 s 11.980245 0.012024 s 25.616801 0.000407 s 54.775216 -0.000076 1 s 0.160664 1.000000 1 s 0.384526 1.000000 1 s 0.935157 1.000000 1 s 1.937532 1.000000 9 p 0.083598 0.044958 p 0.167017 0.150175 p 0.333673 0.255999 p 0.666627 0.281879 p 1.331816 0.242835 p 2.660761 0.161134 p 5.315785 0.082308 p 10.620108 0.039899 p 21.217318 0.004679 1 p 0.130580 1.000000 1 p 0.372674 1.000000 1 p 1.178227 1.000000 1 p 1.589967 1.000000 1 d 0.401152 1.000000 1 d 1.174596 1.000000 1 d 2.823972 1.000000 1 d 4.292433 1.000000 1 f 0.708666 1.000000 1 f 2.006788 1.000000 1 f 3.223721 1.000000 1 g 1.207657 1.000000 1 g 3.584495 1.000000 1 h 2.615818 1.000000'); INSERT INTO "data_tab" VALUES(2,'F','Element Symbol: F Basis-namevdz: vdz HF-Energy: -23.937019 CCSD(T)-Energy: -24.092506 9 s 0.172723 0.070240 s 0.364875 0.311088 s 0.770795 0.444675 s 1.628295 0.287011 s 3.439757 0.018759 s 7.266451 -0.128608 s 15.350300 0.009104 s 32.427348 0.000810 s 68.502433 -0.000133 1 s 0.344569 1.000000 9 p 0.101001 0.035321 p 0.204414 0.136924 p 0.413707 0.249353 p 0.837289 0.286620 p 1.694565 0.254541 p 3.429580 0.169572 p 6.941026 0.088542 p 14.047737 0.039843 p 28.430799 0.003378 1 p 0.364831 1.000000 1 d 1.722479 1.000000 '); INSERT INTO "data_tab" VALUES(3,'F','Element Symbol: F Basis-namevtz: vtz HF-Energy: -23.938224 CCSD(T)-Energy: -24.163204 9 s 0.172723 0.070240 s 0.364875 0.311088 s 0.770795 0.444675 s 1.628295 0.287011 s 3.439757 0.018759 s 7.266451 -0.128608 s 15.350300 0.009104 s 32.427348 0.000810 s 68.502433 -0.000133 1 s 2.289795 1.000000 1 s 0.327712 1.000000 9 p 0.101001 0.035321 p 0.204414 0.136924 p 0.413707 0.249353 p 0.837289 0.286620 p 1.694565 0.254541 p 3.429580 0.169572 p 6.941026 0.088542 p 14.047737 0.039843 p 28.430799 0.003378 1 p 0.243660 1.000000 1 p 0.804181 1.000000 1 d 0.900763 1.000000 1 d 3.297425 1.000000 1 f 1.859274 1.000000 '); INSERT INTO "data_tab" VALUES(4,'F','Element Symbol: F Basis-namevqz: vqz HF-Energy: -23.938443 CCSD(T)-Energy: -24.185741 9 s 0.172723 0.070240 s 0.364875 0.311088 s 0.770795 0.444675 s 1.628295 0.287011 s 3.439757 0.018759 s 7.266451 -0.128608 s 15.350300 0.009104 s 32.427348 0.000810 s 68.502433 -0.000133 1 s 0.294345 1.000000 1 s 1.048012 1.000000 1 s 1.705653 1.000000 9 p 0.101001 0.035321 p 0.204414 0.136924 p 0.413707 0.249353 p 0.837289 0.286620 p 1.694565 0.254541 p 3.429580 0.169572 p 6.941026 0.088542 p 14.047737 0.039843 p 28.430799 0.003378 1 p 0.205805 1.000000 1 p 0.647240 1.000000 1 p 1.650688 1.000000 1 d 0.587354 1.000000 1 d 1.724392 1.000000 1 d 4.998085 1.000000 1 f 1.178147 1.000000 1 f 3.694285 1.000000 1 g 2.406583 1.000000 '); INSERT INTO "data_tab" VALUES(5,'F','Element Symbol: F Basis-namev5z: v5z HF-Energy: -23.938492 CCSD(T)-Energy: -24.192900 9 s 0.172723 0.070240 s 0.364875 0.311088 s 0.770795 0.444675 s 1.628295 0.287011 s 3.439757 0.018759 s 7.266451 -0.128608 s 15.350300 0.009104 s 32.427348 0.000810 s 68.502433 -0.000133 1 s 0.191146 1.000000 1 s 0.459697 1.000000 1 s 1.250265 1.000000 1 s 2.542428 1.000000 9 p 0.101001 0.035321 p 0.204414 0.136924 p 0.413707 0.249353 p 0.837289 0.286620 p 1.694565 0.254541 p 3.429580 0.169572 p 6.941026 0.088542 p 14.047737 0.039843 p 28.430799 0.003378 1 p 0.170574 1.000000 1 p 0.489019 1.000000 1 p 1.505085 1.000000 1 p 2.018698 1.000000 1 d 0.517711 1.000000 1 d 1.523306 1.000000 1 d 3.901897 1.000000 1 d 5.603581 1.000000 1 f 0.981494 1.000000 1 f 2.950321 1.000000 1 f 4.297889 1.000000 1 g 1.638933 1.000000 1 g 4.619953 1.000000 1 h 2.963127 1.000000'); INSERT INTO "data_tab" VALUES(2,'Ne','Element Symbol: Ne Basis-namevdz: vdz HF-Energy: -34.709059 CCSD(T)-Energy: -34.900305 9 s 0.205835 0.057514 s 0.391384 0.215776 s 0.744196 0.374799 s 1.415048 0.326313 s 2.690638 0.166383 s 5.116103 -0.039149 s 9.727994 -0.085909 s 18.497256 0.006816 s 35.171534 0.000206 1 s 0.455383 1.000000 9 p 0.121772 0.029943 p 0.238248 0.114200 p 0.466136 0.219618 p 0.912002 0.268864 p 1.784344 0.256932 p 3.491095 0.191378 p 6.830378 0.112176 p 13.363732 0.063317 p 26.146332 0.008057 1 p 0.472224 1.000000 1 d 2.371533 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Ne','Element Symbol: Ne Basis-namevtz: vtz HF-Energy: -34.709059 CCSD(T)-Energy: -34.976232 9 s 0.205835 0.057514 s 0.391384 0.215776 s 0.744196 0.374799 s 1.415048 0.326313 s 2.690638 0.166383 s 5.116103 -0.039149 s 9.727994 -0.085909 s 18.497256 0.006816 s 35.171534 0.000206 1 s 0.317767 1.000000 1 s 0.534557 1.000000 9 p 0.121772 0.029943 p 0.238248 0.114200 p 0.466136 0.219618 p 0.912002 0.268864 p 1.784344 0.256932 p 3.491095 0.191378 p 6.830378 0.112176 p 13.363732 0.063317 p 26.146332 0.008057 1 p 0.294665 1.000000 1 p 0.962126 1.000000 1 d 1.134063 1.000000 1 d 4.161437 1.000000 1 f 2.556751 1.000000 '); INSERT INTO "data_tab" VALUES(4,'Ne','Element Symbol: Ne Basis-namevqz: vqz HF-Energy: -34.709059 CCSD(T)-Energy: -35.017566 9 s 0.205835 0.057514 s 0.391384 0.215776 s 0.744196 0.374799 s 1.415048 0.326313 s 2.690638 0.166383 s 5.116103 -0.039149 s 9.727994 -0.085909 s 18.497256 0.006816 s 35.171534 0.000206 1 s 0.399186 1.000000 1 s 1.658402 1.000000 1 s 2.261159 1.000000 9 p 0.121772 0.029943 p 0.238248 0.114200 p 0.466136 0.219618 p 0.912002 0.268864 p 1.784344 0.256932 p 3.491095 0.191378 p 6.830378 0.112176 p 13.363732 0.063317 p 26.146332 0.008057 1 p 0.245215 1.000000 1 p 0.757342 1.000000 1 p 1.938376 1.000000 1 d 0.738131 1.000000 1 d 2.188751 1.000000 1 d 6.170224 1.000000 1 f 1.589986 1.000000 1 f 4.849402 1.000000 1 g 3.228793 1.000000 '); INSERT INTO "data_tab" VALUES(5,'Ne','Element Symbol: Ne Basis-namev5z: v5z HF-Energy: -34.709059 CCSD(T)-Energy: -35.027534 9 s 0.205835 0.057514 s 0.391384 0.215776 s 0.744196 0.374799 s 1.415048 0.326313 s 2.690638 0.166383 s 5.116103 -0.039149 s 9.727994 -0.085909 s 18.497256 0.006816 s 35.171534 0.000206 1 s 0.318678 1.000000 1 s 0.830178 1.000000 1 s 1.591904 1.000000 1 s 2.744999 1.000000 9 p 0.121772 0.029943 p 0.238248 0.114200 p 0.466136 0.219618 p 0.912002 0.268864 p 1.784344 0.256932 p 3.491095 0.191378 p 6.830378 0.112176 p 13.363732 0.063317 p 26.146332 0.008057 1 p 0.218226 1.000000 1 p 0.636921 1.000000 1 p 1.888191 1.000000 1 p 3.020108 1.000000 1 d 0.654924 1.000000 1 d 1.931502 1.000000 1 d 5.027566 1.000000 1 d 6.989700 1.000000 1 f 1.314297 1.000000 1 f 4.065928 1.000000 1 f 5.587487 1.000000 1 g 2.070925 1.000000 1 g 6.073107 1.000000 1 h 3.743118 1.000000'); INSERT INTO "data_tab" VALUES(2,'Na','Element Symbol: Na Basis-namevdz: vdz HF-Energy: -0.174227 CCSD(T)-Energy: -0.174227 9 s 0.013061 0.200118 s 0.030041 0.467652 s 0.069092 0.227738 s 0.158908 -0.061581 s 0.365481 -0.137533 s 0.840589 0.003323 s 1.933315 0.003741 s 4.446533 -0.001117 s 10.226816 0.000244 1 s 0.865135 1.000000 9 p 0.002593 -0.002840 p 0.006741 0.005340 p 0.017525 -0.025936 p 0.045563 -0.053466 p 0.118461 -0.053691 p 0.307987 0.014439 p 0.800738 0.006199 p 2.081847 -0.001026 p 5.412617 0.000168 1 p 0.106025 1.000000 1 d 0.050790 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Na','Element Symbol: Na Basis-namevtz: vtz HF-Energy: -0.181799 CCSD(T)-Energy: -0.181799 9 s 0.013061 0.200118 s 0.030041 0.467652 s 0.069092 0.227738 s 0.158908 -0.061581 s 0.365481 -0.137533 s 0.840589 0.003323 s 1.933315 0.003741 s 4.446533 -0.001117 s 10.226816 0.000244 1 s 0.067854 1.000000 1 s 0.550451 1.000000 9 p 0.002593 -0.002840 p 0.006741 0.005340 p 0.017525 -0.025936 p 0.045563 -0.053466 p 0.118461 -0.053691 p 0.307987 0.014439 p 0.800738 0.006199 p 2.081847 -0.001026 p 5.412617 0.000168 1 p 0.089406 1.000000 1 p 0.619273 1.000000 1 d 0.086920 1.000000 1 d 0.693014 1.000000 1 f 0.132402 1.000000 '); INSERT INTO "data_tab" VALUES(4,'Na','Element Symbol: Na Basis-namevqz: vqz HF-Energy: -0.181980 CCSD(T)-Energy: -0.181980 9 s 0.013061 0.200118 s 0.030041 0.467652 s 0.069092 0.227738 s 0.158908 -0.061581 s 0.365481 -0.137533 s 0.840589 0.003323 s 1.933315 0.003741 s 4.446533 -0.001117 s 10.226816 0.000244 1 s 0.064915 1.000000 1 s 1.134458 1.000000 1 s 0.771046 1.000000 9 p 0.002593 -0.002840 p 0.006741 0.005340 p 0.017525 -0.025936 p 0.045563 -0.053466 p 0.118461 -0.053691 p 0.307987 0.014439 p 0.800738 0.006199 p 2.081847 -0.001026 p 5.412617 0.000168 1 p 0.059662 1.000000 1 p 0.096714 1.000000 1 p 0.552976 1.000000 1 d 0.046917 1.000000 1 d 0.813868 1.000000 1 d 0.127780 1.000000 1 f 0.129992 1.000000 1 f 0.626429 1.000000 1 g 0.588778 1.000000 '); INSERT INTO "data_tab" VALUES(5,'Na','Element Symbol: Na Basis-namev5z: v5z HF-Energy: -0.182034 CCSD(T)-Energy: -0.182034 9 s 0.013061 0.200118 s 0.030041 0.467652 s 0.069092 0.227738 s 0.158908 -0.061581 s 0.365481 -0.137533 s 0.840589 0.003323 s 1.933315 0.003741 s 4.446533 -0.001117 s 10.226816 0.000244 1 s 0.063999 1.000000 1 s 0.414207 1.000000 1 s 0.848058 1.000000 1 s 1.097178 1.000000 9 p 0.002593 -0.002840 p 0.006741 0.005340 p 0.017525 -0.025936 p 0.045563 -0.053466 p 0.118461 -0.053691 p 0.307987 0.014439 p 0.800738 0.006199 p 2.081847 -0.001026 p 5.412617 0.000168 1 p 0.062027 1.000000 1 p 0.098643 1.000000 1 p 0.404379 1.000000 1 p 0.845826 1.000000 1 d 0.058125 1.000000 1 d 0.824577 1.000000 1 d 0.131674 1.000000 1 d 0.979694 1.000000 1 f 0.112793 1.000000 1 f 0.429471 1.000000 1 f 0.848460 1.000000 1 g 0.285680 1.000000 1 g 0.467702 1.000000'); INSERT INTO "data_tab" VALUES(2,'Mg','Element Symbol: Mg Basis-namevdz: vdz HF-Energy: -0.784324 CCSD(T)-Energy: -0.816857 9 s 0.030975 0.165290 s 0.062959 0.506272 s 0.127970 0.333197 s 0.260111 0.057482 s 0.528700 -0.137614 s 1.074630 -0.135378 s 2.184285 0.048310 s 4.439759 -0.005312 s 9.024217 0.000465 1 s 0.162370 1.000000 9 p 0.047055 1.502038 p 0.083253 -1.433944 p 0.147298 1.318987 p 0.260611 -0.741124 p 0.461094 0.436300 p 0.815803 -0.243798 p 1.443383 0.086774 p 2.553745 -0.028677 p 4.518286 0.006085 1 p 0.121683 1.000000 1 d 0.135526 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Mg','Element Symbol: Mg Basis-namevtz: vtz HF-Energy: -0.784579 CCSD(T)-Energy: -0.819095 9 s 0.030975 0.165290 s 0.062959 0.506272 s 0.127970 0.333197 s 0.260111 0.057482 s 0.528700 -0.137614 s 1.074630 -0.135378 s 2.184285 0.048310 s 4.439759 -0.005312 s 9.024217 0.000465 1 s 0.153453 1.000000 1 s 0.673960 1.000000 9 p 0.047055 1.502038 p 0.083253 -1.433944 p 0.147298 1.318987 p 0.260611 -0.741124 p 0.461094 0.436300 p 0.815803 -0.243798 p 1.443383 0.086774 p 2.553745 -0.028677 p 4.518286 0.006085 1 p 0.126917 1.000000 1 p 1.118965 1.000000 1 d 0.095734 1.000000 1 d 0.274572 1.000000 1 f 0.148519 1.000000 '); INSERT INTO "data_tab" VALUES(4,'Mg','Element Symbol: Mg Basis-namevqz: vqz HF-Energy: -0.784736 CCSD(T)-Energy: -0.819621 9 s 0.030975 0.165290 s 0.062959 0.506272 s 0.127970 0.333197 s 0.260111 0.057482 s 0.528700 -0.137614 s 1.074630 -0.135378 s 2.184285 0.048310 s 4.439759 -0.005312 s 9.024217 0.000465 1 s 0.023378 1.000000 1 s 0.188141 1.000000 1 s 0.616205 1.000000 9 p 0.047055 1.502038 p 0.083253 -1.433944 p 0.147298 1.318987 p 0.260611 -0.741124 p 0.461094 0.436300 p 0.815803 -0.243798 p 1.443383 0.086774 p 2.553745 -0.028677 p 4.518286 0.006085 1 p 0.089167 1.000000 1 p 0.209210 1.000000 1 p 0.846859 1.000000 1 d 0.095526 1.000000 1 d 0.734089 1.000000 1 d 0.233222 1.000000 1 f 0.127025 1.000000 1 f 0.304907 1.000000 1 g 0.192272 1.000000 '); INSERT INTO "data_tab" VALUES(5,'Mg','Element Symbol: Mg Basis-namev5z: v5z HF-Energy: -0.784736 CCSD(T)-Energy: -0.819696 9 s 0.030975 0.165290 s 0.062959 0.506272 s 0.127970 0.333197 s 0.260111 0.057482 s 0.528700 -0.137614 s 1.074630 -0.135378 s 2.184285 0.048310 s 4.439759 -0.005312 s 9.024217 0.000465 1 s 0.023503 1.000000 1 s 0.061201 1.000000 1 s 0.764885 1.000000 1 s 1.054291 1.000000 9 p 0.047055 1.502038 p 0.083253 -1.433944 p 0.147298 1.318987 p 0.260611 -0.741124 p 0.461094 0.436300 p 0.815803 -0.243798 p 1.443383 0.086774 p 2.553745 -0.028677 p 4.518286 0.006085 1 p 0.082386 1.000000 1 p 0.177931 1.000000 1 p 0.385451 1.000000 1 p 0.833239 1.000000 1 d 0.102058 1.000000 1 d 0.815528 1.000000 1 d 0.222855 1.000000 1 d 0.973775 1.000000 1 f 0.141691 1.000000 1 f 0.425441 1.000000 1 f 0.847636 1.000000 1 g 0.171110 1.000000 1 g 0.438459 1.000000 1 h 0.360937 1.000000'); INSERT INTO "data_tab" VALUES(2,'Al','Element Symbol: Al Basis-namevdz: vdz HF-Energy: -1.878786 CCSD(T)-Energy: -1.929382 9 s 0.045518 0.206193 s 0.100308 0.559887 s 0.221051 0.407852 s 0.487132 -0.041098 s 1.073500 -0.238652 s 2.365686 0.038132 s 5.213294 -0.003935 s 11.488606 0.000470 s 25.317597 -0.000014 1 s 0.044024 1.000000 9 p 0.014848 0.009932 p 0.030967 0.160212 p 0.064586 0.389171 p 0.134700 0.373235 p 0.280932 0.195800 p 0.585913 0.022947 p 1.221985 -0.053293 p 2.548578 0.004846 p 5.315330 -0.000726 1 p 0.206631 1.000000 1 d 0.193079 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Al','Element Symbol: Al Basis-namevtz: vtz HF-Energy: -1.878829 CCSD(T)-Energy: -1.936503 9 s 0.045518 0.206193 s 0.100308 0.559887 s 0.221051 0.407852 s 0.487132 -0.041098 s 1.073500 -0.238652 s 2.365686 0.038132 s 5.213294 -0.003935 s 11.488606 0.000470 s 25.317597 -0.000014 1 s 0.064303 1.000000 1 s 0.371009 1.000000 9 p 0.014848 0.009932 p 0.030967 0.160212 p 0.064586 0.389171 p 0.134700 0.373235 p 0.280932 0.195800 p 0.585913 0.022947 p 1.221985 -0.053293 p 2.548578 0.004846 p 5.315330 -0.000726 1 p 0.035607 1.000000 1 p 0.090801 1.000000 1 d 0.115540 1.000000 1 d 0.359082 1.000000 1 f 0.254838 1.000000 '); INSERT INTO "data_tab" VALUES(4,'Al','Element Symbol: Al Basis-namevqz: vqz HF-Energy: -1.878847 CCSD(T)-Energy: -1.937937 9 s 0.045518 0.206193 s 0.100308 0.559887 s 0.221051 0.407852 s 0.487132 -0.041098 s 1.073500 -0.238652 s 2.365686 0.038132 s 5.213294 -0.003935 s 11.488606 0.000470 s 25.317597 -0.000014 1 s 0.058688 1.000000 1 s 0.150215 1.000000 1 s 0.324193 1.000000 9 p 0.014848 0.009932 p 0.030967 0.160212 p 0.064586 0.389171 p 0.134700 0.373235 p 0.280932 0.195800 p 0.585913 0.022947 p 1.221985 -0.053293 p 2.548578 0.004846 p 5.315330 -0.000726 1 p 0.034866 1.000000 1 p 0.403929 1.000000 1 p 0.084117 1.000000 1 d 0.092392 1.000000 1 d 0.245212 1.000000 1 d 0.726318 1.000000 1 f 0.160909 1.000000 1 f 0.409285 1.000000 1 g 0.352027 1.000000 '); INSERT INTO "data_tab" VALUES(5,'Al','Element Symbol: Al Basis-namev5z: v5z HF-Energy: -1.878849 CCSD(T)-Energy: -1.938298 9 s 0.045518 0.206193 s 0.100308 0.559887 s 0.221051 0.407852 s 0.487132 -0.041098 s 1.073500 -0.238652 s 2.365686 0.038132 s 5.213294 -0.003935 s 11.488606 0.000470 s 25.317597 -0.000014 1 s 0.056415 1.000000 1 s 0.155063 1.000000 1 s 0.332041 1.000000 1 s 0.725343 1.000000 9 p 0.014848 0.009932 p 0.030967 0.160212 p 0.064586 0.389171 p 0.134700 0.373235 p 0.280932 0.195800 p 0.585913 0.022947 p 1.221985 -0.053293 p 2.548578 0.004846 p 5.315330 -0.000726 1 p 0.033949 1.000000 1 p 0.083154 1.000000 1 p 0.251360 1.000000 1 p 0.314422 1.000000 1 d 0.088652 1.000000 1 d 0.241216 1.000000 1 d 0.575129 1.000000 1 d 0.989127 1.000000 1 f 0.148598 1.000000 1 f 0.374850 1.000000 1 f 0.781006 1.000000 1 g 0.259548 1.000000 1 g 0.561381 1.000000 1 h 0.328731 1.000000'); INSERT INTO "data_tab" VALUES(2,'Si','Element Symbol: Si Basis-namevdz: vdz HF-Energy: -3.678618 CCSD(T)-Energy: -3.747344 9 s 0.059887 0.167492 s 0.130108 0.532550 s 0.282668 0.464290 s 0.614115 -0.002322 s 1.334205 -0.268234 s 2.898645 0.031921 s 6.297493 -0.000106 s 13.681707 -0.000145 s 29.724387 0.000067 1 s 0.059803 1.000000 9 p 0.036525 0.078761 p 0.076137 0.308331 p 0.158712 0.417773 p 0.330843 0.281676 p 0.689658 0.069876 p 1.437625 -0.056306 p 2.996797 0.000744 p 6.246966 -0.000259 p 13.022097 -0.000022 1 p 0.081570 1.000000 1 d 0.283626 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Si','Element Symbol: Si Basis-namevtz: vtz HF-Energy: -3.678653 CCSD(T)-Energy: -3.762543 9 s 0.059887 0.167492 s 0.130108 0.532550 s 0.282668 0.464290 s 0.614115 -0.002322 s 1.334205 -0.268234 s 2.898645 0.031921 s 6.297493 -0.000106 s 13.681707 -0.000145 s 29.724387 0.000067 1 s 0.090113 1.000000 1 s 0.507467 1.000000 9 p 0.036525 0.078761 p 0.076137 0.308331 p 0.158712 0.417773 p 0.330843 0.281676 p 0.689658 0.069876 p 1.437625 -0.056306 p 2.996797 0.000744 p 6.246966 -0.000259 p 13.022097 -0.000022 1 p 0.056148 1.000000 1 p 0.146758 1.000000 1 d 0.170395 1.000000 1 d 0.539756 1.000000 1 f 0.352999 1.000000 '); INSERT INTO "data_tab" VALUES(4,'Si','Element Symbol: Si Basis-namevqz: vqz HF-Energy: -3.678670 CCSD(T)-Energy: -3.765849 9 s 0.059887 0.167492 s 0.130108 0.532550 s 0.282668 0.464290 s 0.614115 -0.002322 s 1.334205 -0.268234 s 2.898645 0.031921 s 6.297493 -0.000106 s 13.681707 -0.000145 s 29.724387 0.000067 1 s 0.079900 1.000000 1 s 0.206024 1.000000 1 s 0.435017 1.000000 9 p 0.036525 0.078761 p 0.076137 0.308331 p 0.158712 0.417773 p 0.330843 0.281676 p 0.689658 0.069876 p 1.437625 -0.056306 p 2.996797 0.000744 p 6.246966 -0.000259 p 13.022097 -0.000022 1 p 0.054575 1.000000 1 p 0.599112 1.000000 1 p 0.134681 1.000000 1 d 0.133118 1.000000 1 d 0.350967 1.000000 1 d 1.063961 1.000000 1 f 0.211319 1.000000 1 f 0.535932 1.000000 1 g 0.465365 1.000000 '); INSERT INTO "data_tab" VALUES(5,'Si','Element Symbol: Si Basis-namev5z: v5z HF-Energy: -3.678671 CCSD(T)-Energy: -3.766704 9 s 0.059887 0.167492 s 0.130108 0.532550 s 0.282668 0.464290 s 0.614115 -0.002322 s 1.334205 -0.268234 s 2.898645 0.031921 s 6.297493 -0.000106 s 13.681707 -0.000145 s 29.724387 0.000067 1 s 0.075500 1.000000 1 s 0.196459 1.000000 1 s 0.424036 1.000000 1 s 0.920486 1.000000 9 p 0.036525 0.078761 p 0.076137 0.308331 p 0.158712 0.417773 p 0.330843 0.281676 p 0.689658 0.069876 p 1.437625 -0.056306 p 2.996797 0.000744 p 6.246966 -0.000259 p 13.022097 -0.000022 1 p 0.048136 1.000000 1 p 0.115813 1.000000 1 p 0.238594 1.000000 1 p 0.496918 1.000000 1 d 0.127945 1.000000 1 d 0.353096 1.000000 1 d 0.805426 1.000000 1 d 1.247695 1.000000 1 f 0.172876 1.000000 1 f 0.402208 1.000000 1 f 0.833081 1.000000 1 g 0.299885 1.000000 1 g 0.647054 1.000000 1 h 0.557542 1.000000'); INSERT INTO "data_tab" VALUES(2,'P','Element Symbol: P Basis-namevdz: vdz HF-Energy: -6.359075 CCSD(T)-Energy: -6.441694 9 s 0.074718 0.140225 s 0.160834 0.506746 s 0.346202 0.499893 s 0.745215 0.037301 s 1.604109 -0.284591 s 3.452917 0.024766 s 7.432561 0.001798 s 15.998924 -0.000314 s 34.438408 0.000088 1 s 0.077260 1.000000 9 p 0.050242 0.072095 p 0.102391 0.278735 p 0.208669 0.411034 p 0.425256 0.304724 p 0.866651 0.091727 p 1.766191 -0.057060 p 3.599410 -0.005103 p 7.335418 0.000328 p 14.949217 -0.000046 1 p 0.113433 1.000000 1 d 0.390944 1.000000 '); INSERT INTO "data_tab" VALUES(3,'P','Element Symbol: P Basis-namevtz: vtz HF-Energy: -6.359075 CCSD(T)-Energy: -6.468391 9 s 0.074718 0.140225 s 0.160834 0.506746 s 0.346202 0.499893 s 0.745215 0.037301 s 1.604109 -0.284591 s 3.452917 0.024766 s 7.432561 0.001798 s 15.998924 -0.000314 s 34.438408 0.000088 1 s 0.115288 1.000000 1 s 0.646066 1.000000 9 p 0.050242 0.072095 p 0.102391 0.278735 p 0.208669 0.411034 p 0.425256 0.304724 p 0.866651 0.091727 p 1.766191 -0.057060 p 3.599410 -0.005103 p 7.335418 0.000328 p 14.949217 -0.000046 1 p 0.076568 1.000000 1 p 0.200301 1.000000 1 d 0.234543 1.000000 1 d 0.753299 1.000000 1 f 0.468762 1.000000 '); INSERT INTO "data_tab" VALUES(4,'P','Element Symbol: P Basis-namevqz: vqz HF-Energy: -6.359075 CCSD(T)-Energy: -6.474649 9 s 0.074718 0.140225 s 0.160834 0.506746 s 0.346202 0.499893 s 0.745215 0.037301 s 1.604109 -0.284591 s 3.452917 0.024766 s 7.432561 0.001798 s 15.998924 -0.000314 s 34.438408 0.000088 1 s 0.098851 1.000000 1 s 0.255593 1.000000 1 s 0.546057 1.000000 9 p 0.050242 0.072095 p 0.102391 0.278735 p 0.208669 0.411034 p 0.425256 0.304724 p 0.866651 0.091727 p 1.766191 -0.057060 p 3.599410 -0.005103 p 7.335418 0.000328 p 14.949217 -0.000046 1 p 0.074522 1.000000 1 p 0.764539 1.000000 1 p 0.182211 1.000000 1 d 0.186505 1.000000 1 d 0.502400 1.000000 1 d 1.576445 1.000000 1 f 0.280702 1.000000 1 f 0.719161 1.000000 1 g 0.599144 1.000000 '); INSERT INTO "data_tab" VALUES(5,'P','Element Symbol: P Basis-namev5z: v5z HF-Energy: -6.359075 CCSD(T)-Energy: -6.476249 9 s 0.074718 0.140225 s 0.160834 0.506746 s 0.346202 0.499893 s 0.745215 0.037301 s 1.604109 -0.284591 s 3.452917 0.024766 s 7.432561 0.001798 s 15.998924 -0.000314 s 34.438408 0.000088 1 s 0.082092 1.000000 1 s 0.195525 1.000000 1 s 0.434767 1.000000 1 s 1.027573 1.000000 9 p 0.050242 0.072095 p 0.102391 0.278735 p 0.208669 0.411034 p 0.425256 0.304724 p 0.866651 0.091727 p 1.766191 -0.057060 p 3.599410 -0.005103 p 7.335418 0.000328 p 14.949217 -0.000046 1 p 0.074159 1.000000 1 p 0.189382 1.000000 1 p 0.470798 1.000000 1 p 0.815677 1.000000 1 d 0.167800 1.000000 1 d 0.457307 1.000000 1 d 1.021650 1.000000 1 d 1.598720 1.000000 1 f 0.214751 1.000000 1 f 0.482380 1.000000 1 f 0.984966 1.000000 1 g 0.406484 1.000000 1 g 0.924507 1.000000 1 h 0.831913 1.000000'); INSERT INTO "data_tab" VALUES(2,'S','Element Symbol: S Basis-namevdz: vdz HF-Energy: -9.955307 CCSD(T)-Energy: -10.063831 9 s 0.095120 0.140074 s 0.202385 0.490942 s 0.430611 0.515297 s 0.916203 0.050320 s 1.949388 -0.298908 s 4.147674 0.019827 s 8.824926 0.007266 s 18.776623 -0.001602 s 39.950656 0.000271 1 s 0.098454 1.000000 9 p 0.057087 0.081938 p 0.115901 0.251826 p 0.235305 0.376344 p 0.477723 0.320902 p 0.969889 0.143779 p 1.969099 -0.045543 p 3.997726 -0.017191 p 8.116307 0.002580 p 16.477979 -0.000222 1 p 0.128926 1.000000 1 d 0.514135 1.000000 '); INSERT INTO "data_tab" VALUES(3,'S','Element Symbol: S Basis-namevtz: vtz HF-Energy: -9.957145 CCSD(T)-Energy: -10.114756 9 s 0.095120 0.140074 s 0.202385 0.490942 s 0.430611 0.515297 s 0.916203 0.050320 s 1.949388 -0.298908 s 4.147674 0.019827 s 8.824926 0.007266 s 18.776623 -0.001602 s 39.950656 0.000271 1 s 0.146642 1.000000 1 s 0.792025 1.000000 9 p 0.057087 0.081938 p 0.115901 0.251826 p 0.235305 0.376344 p 0.477723 0.320902 p 0.969889 0.143779 p 1.969099 -0.045543 p 3.997726 -0.017191 p 8.116307 0.002580 p 16.477979 -0.000222 1 p 0.088694 1.000000 1 p 0.247967 1.000000 1 d 0.292889 1.000000 1 d 0.950659 1.000000 1 f 0.573218 1.000000 '); INSERT INTO "data_tab" VALUES(4,'S','Element Symbol: S Basis-namevqz: vqz HF-Energy: -9.957360 CCSD(T)-Energy: -10.127207 9 s 0.095120 0.140074 s 0.202385 0.490942 s 0.430611 0.515297 s 0.916203 0.050320 s 1.949388 -0.298908 s 4.147674 0.019827 s 8.824926 0.007266 s 18.776623 -0.001602 s 39.950656 0.000271 1 s 0.123759 1.000000 1 s 0.315587 1.000000 1 s 0.651905 1.000000 9 p 0.057087 0.081938 p 0.115901 0.251826 p 0.235305 0.376344 p 0.477723 0.320902 p 0.969889 0.143779 p 1.969099 -0.045543 p 3.997726 -0.017191 p 8.116307 0.002580 p 16.477979 -0.000222 1 p 0.078717 1.000000 1 p 0.202707 1.000000 1 p 0.301333 1.000000 1 d 0.215701 1.000000 1 d 0.560638 1.000000 1 d 1.588204 1.000000 1 f 0.356554 1.000000 1 f 0.961826 1.000000 1 g 0.694803 1.000000 '); INSERT INTO "data_tab" VALUES(5,'S','Element Symbol: S Basis-namev5z: v5z HF-Energy: -9.957418 CCSD(T)-Energy: -10.131970 9 s 0.095120 0.140074 s 0.202385 0.490942 s 0.430611 0.515297 s 0.916203 0.050320 s 1.949388 -0.298908 s 4.147674 0.019827 s 8.824926 0.007266 s 18.776623 -0.001602 s 39.950656 0.000271 1 s 0.113918 1.000000 1 s 0.282790 1.000000 1 s 0.626702 1.000000 1 s 1.338226 1.000000 9 p 0.057087 0.081938 p 0.115901 0.251826 p 0.235305 0.376344 p 0.477723 0.320902 p 0.969889 0.143779 p 1.969099 -0.045543 p 3.997726 -0.017191 p 8.116307 0.002580 p 16.477979 -0.000222 1 p 0.079101 1.000000 1 p 0.210632 1.000000 1 p 0.522537 1.000000 1 p 0.924454 1.000000 1 d 0.186546 1.000000 1 d 0.462328 1.000000 1 d 0.955579 1.000000 1 d 2.334308 1.000000 1 f 0.274343 1.000000 1 f 0.661568 1.000000 1 f 1.389533 1.000000 1 g 0.486698 1.000000 1 g 1.166495 1.000000 1 h 0.839494 1.000000'); INSERT INTO "data_tab" VALUES(2,'Cl','Element Symbol: Cl Basis-namevdz: vdz HF-Energy: -14.740423 CCSD(T)-Energy: -14.874246 9 s 0.119944 0.148917 s 0.257348 0.503616 s 0.552157 0.523995 s 1.184691 0.013612 s 2.541836 -0.328846 s 5.453681 0.056309 s 11.701243 -0.001301 s 25.105812 -0.000294 s 53.866226 0.000076 1 s 0.120667 1.000000 9 p 0.074374 0.084925 p 0.155084 0.270658 p 0.323378 0.396022 p 0.674303 0.324325 p 1.406043 0.100661 p 2.931855 -0.069802 p 6.113450 -0.000951 p 12.747651 0.001501 p 26.581165 -0.000249 1 p 0.168333 1.000000 1 d 0.651071 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Cl','Element Symbol: Cl Basis-namevtz: vtz HF-Energy: -14.741759 CCSD(T)-Energy: -14.945231 9 s 0.119944 0.148917 s 0.257348 0.503616 s 0.552157 0.523995 s 1.184691 0.013612 s 2.541836 -0.328846 s 5.453681 0.056309 s 11.701243 -0.001301 s 25.105812 -0.000294 s 53.866226 0.000076 1 s 0.185613 1.000000 1 s 0.991560 1.000000 9 p 0.074374 0.084925 p 0.155084 0.270658 p 0.323378 0.396022 p 0.674303 0.324325 p 1.406043 0.100661 p 2.931855 -0.069802 p 6.113450 -0.000951 p 12.747651 0.001501 p 26.581165 -0.000249 1 p 0.112268 1.000000 1 p 0.309583 1.000000 1 d 0.352357 1.000000 1 d 1.128796 1.000000 1 f 0.731999 1.000000 '); INSERT INTO "data_tab" VALUES(4,'Cl','Element Symbol: Cl Basis-namevqz: vqz HF-Energy: -14.741946 CCSD(T)-Energy: -14.966388 9 s 0.119944 0.148917 s 0.257348 0.503616 s 0.552157 0.523995 s 1.184691 0.013612 s 2.541836 -0.328846 s 5.453681 0.056309 s 11.701243 -0.001301 s 25.105812 -0.000294 s 53.866226 0.000076 1 s 0.161594 1.000000 1 s 0.440111 1.000000 1 s 0.848928 1.000000 9 p 0.074374 0.084925 p 0.155084 0.270658 p 0.323378 0.396022 p 0.674303 0.324325 p 1.406043 0.100661 p 2.931855 -0.069802 p 6.113450 -0.000951 p 12.747651 0.001501 p 26.581165 -0.000249 1 p 0.111309 1.000000 1 p 1.286881 1.000000 1 p 0.289403 1.000000 1 d 0.253063 1.000000 1 d 0.642589 1.000000 1 d 1.654717 1.000000 1 f 0.448175 1.000000 1 f 1.189807 1.000000 1 g 0.848307 1.000000 '); INSERT INTO "data_tab" VALUES(5,'Cl','Element Symbol: Cl Basis-namev5z: v5z HF-Energy: -14.741980 CCSD(T)-Energy: -14.972355 9 s 0.119944 0.148917 s 0.257348 0.503616 s 0.552157 0.523995 s 1.184691 0.013612 s 2.541836 -0.328846 s 5.453681 0.056309 s 11.701243 -0.001301 s 25.105812 -0.000294 s 53.866226 0.000076 1 s 0.152049 1.000000 1 s 0.639110 1.000000 1 s 0.801438 1.000000 1 s 1.671380 1.000000 9 p 0.074374 0.084925 p 0.155084 0.270658 p 0.323378 0.396022 p 0.674303 0.324325 p 1.406043 0.100661 p 2.931855 -0.069802 p 6.113450 -0.000951 p 12.747651 0.001501 p 26.581165 -0.000249 1 p 0.103926 1.000000 1 p 0.275582 1.000000 1 p 0.667436 1.000000 1 p 1.171614 1.000000 1 d 0.237419 1.000000 1 d 0.729517 1.000000 1 d 0.924049 1.000000 1 d 1.522182 1.000000 1 f 0.335123 1.000000 1 f 0.789116 1.000000 1 f 1.609975 1.000000 1 g 0.576133 1.000000 1 g 1.402971 1.000000 1 h 1.099609 1.000000'); INSERT INTO "data_tab" VALUES(2,'Ar','Element Symbol: Ar Basis-namevdz: vdz HF-Energy: -20.884139 CCSD(T)-Energy: -21.042077 9 s 0.147347 0.155473 s 0.312164 0.494617 s 0.661339 0.526705 s 1.401090 0.021986 s 2.968301 -0.338533 s 6.288539 0.056023 s 13.322677 -0.000115 s 28.224956 -0.000595 s 59.796402 0.000127 1 s 0.147526 1.000000 9 p 0.090580 0.079101 p 0.188085 0.260718 p 0.390548 0.395065 p 0.810953 0.334954 p 1.683902 0.107462 p 3.496535 -0.073657 p 7.260371 -0.001407 p 15.075781 0.001710 p 31.304069 -0.000275 1 p 0.211798 1.000000 1 d 0.810888 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Ar','Element Symbol: Ar Basis-namevtz: vtz HF-Energy: -20.884139 CCSD(T)-Energy: -21.131134 9 s 0.147347 0.155473 s 0.312164 0.494617 s 0.661339 0.526705 s 1.401090 0.021986 s 2.968301 -0.338533 s 6.288539 0.056023 s 13.322677 -0.000115 s 28.224956 -0.000595 s 59.796402 0.000127 1 s 0.228740 1.000000 1 s 1.191630 1.000000 9 p 0.090580 0.079101 p 0.188085 0.260718 p 0.390548 0.395065 p 0.810953 0.334954 p 1.683902 0.107462 p 3.496535 -0.073657 p 7.260371 -0.001407 p 15.075781 0.001710 p 31.304069 -0.000275 1 p 0.138338 1.000000 1 p 0.380189 1.000000 1 d 0.425779 1.000000 1 d 1.370859 1.000000 1 f 0.929931 1.000000 '); INSERT INTO "data_tab" VALUES(4,'Ar','Element Symbol: Ar Basis-namevqz: vqz HF-Energy: -20.884139 CCSD(T)-Energy: -21.161250 9 s 0.147347 0.155473 s 0.312164 0.494617 s 0.661339 0.526705 s 1.401090 0.021986 s 2.968301 -0.338533 s 6.288539 0.056023 s 13.322677 -0.000115 s 28.224956 -0.000595 s 59.796402 0.000127 1 s 0.196024 1.000000 1 s 0.540061 1.000000 1 s 1.020348 1.000000 9 p 0.090580 0.079101 p 0.188085 0.260718 p 0.390548 0.395065 p 0.810953 0.334954 p 1.683902 0.107462 p 3.496535 -0.073657 p 7.260371 -0.001407 p 15.075781 0.001710 p 31.304069 -0.000275 1 p 0.140701 1.000000 1 p 1.604300 1.000000 1 p 0.367738 1.000000 1 d 0.304103 1.000000 1 d 0.760464 1.000000 1 d 1.900944 1.000000 1 f 0.583628 1.000000 1 f 1.480507 1.000000 1 g 1.030824 1.000000 '); INSERT INTO "data_tab" VALUES(5,'Ar','Element Symbol: Ar Basis-namev5z: v5z HF-Energy: -20.884139 CCSD(T)-Energy: -21.170192 9 s 0.147347 0.155473 s 0.312164 0.494617 s 0.661339 0.526705 s 1.401090 0.021986 s 2.968301 -0.338533 s 6.288539 0.056023 s 13.322677 -0.000115 s 28.224956 -0.000595 s 59.796402 0.000127 1 s 0.189594 1.000000 1 s 0.778040 1.000000 1 s 0.971266 1.000000 1 s 1.979612 1.000000 9 p 0.090580 0.079101 p 0.188085 0.260718 p 0.390548 0.395065 p 0.810953 0.334954 p 1.683902 0.107462 p 3.496535 -0.073657 p 7.260371 -0.001407 p 15.075781 0.001710 p 31.304069 -0.000275 1 p 0.133916 1.000000 1 p 0.356186 1.000000 1 p 0.833562 1.000000 1 p 1.430927 1.000000 1 d 0.268113 1.000000 1 d 0.697753 1.000000 1 d 1.185366 1.000000 1 d 2.118102 1.000000 1 f 0.422461 1.000000 1 f 0.973776 1.000000 1 f 2.020616 1.000000 1 g 0.695217 1.000000 1 g 1.690111 1.000000 1 h 1.258944 1.000000'); INSERT INTO "data_tab" VALUES(2,'K','Element Symbol: K Basis-namevdz: vdz HF-Energy: -0.147527 CCSD(T)-Energy: -0.147527 9 s 0.017365 0.444154 s 0.039432 0.431906 s 0.089538 0.040955 s 0.203317 -0.178633 s 0.461676 -0.162292 s 1.048337 0.083942 s 2.380481 -0.013650 s 5.405407 0.001752 s 12.274172 -0.000216 1 s 0.134208 1.000000 9 p 0.015053 -0.022303 p 0.033214 -0.055106 p 0.073286 -0.050766 p 0.161705 0.022211 p 0.356799 0.029953 p 0.787270 -0.008213 p 1.737100 0.000160 p 3.832883 0.000253 p 8.457196 -0.000071 1 p 0.039934 1.000000 1 d 0.055562 1.000000 '); INSERT INTO "data_tab" VALUES(3,'K','Element Symbol: K Basis-namevtz: vtz HF-Energy: -0.147624 CCSD(T)-Energy: -0.147624 9 s 0.017365 0.444154 s 0.039432 0.431906 s 0.089538 0.040955 s 0.203317 -0.178633 s 0.461676 -0.162292 s 1.048337 0.083942 s 2.380481 -0.013650 s 5.405407 0.001752 s 12.274172 -0.000216 1 s 0.057933 1.000000 1 s 0.171219 1.000000 9 p 0.015053 -0.022303 p 0.033214 -0.055106 p 0.073286 -0.050766 p 0.161705 0.022211 p 0.356799 0.029953 p 0.787270 -0.008213 p 1.737100 0.000160 p 3.832883 0.000253 p 8.457196 -0.000071 1 p 0.044643 1.000000 1 p 0.256200 1.000000 1 d 0.060330 1.000000 1 d 0.581732 1.000000 1 f 0.473119 1.000000'); INSERT INTO "data_tab" VALUES(2,'Ca','Element Symbol: Ca Basis-namevdz: vdz HF-Energy: -1.733603 CCSD(T)-Energy: -1.799647 9 s 0.019220 0.031083 s 0.044206 0.129599 s 0.101674 0.197919 s 0.233852 -0.075445 s 0.537862 -0.197849 s 1.237092 0.083244 s 2.845329 -0.012885 s 6.544301 0.001791 s 15.051990 -0.000245 1 s 0.124975 1.000000 9 p 0.008008 -0.005632 p 0.018417 0.031052 p 0.042355 0.094286 p 0.097408 0.163876 p 0.224018 -0.003961 p 0.515195 -0.111912 p 1.184839 0.031892 p 2.724878 -0.004517 p 6.266642 0.000588 1 p 0.126295 1.000000 1 d 0.607820 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Ca','Element Symbol: Ca Basis-namevtz: vtz HF-Energy: -1.738556 CCSD(T)-Energy: -1.808349 9 s 0.019220 0.031083 s 0.044206 0.129599 s 0.101674 0.197919 s 0.233852 -0.075445 s 0.537862 -0.197849 s 1.237092 0.083244 s 2.845329 -0.012885 s 6.544301 0.001791 s 15.051990 -0.000245 1 s 0.108753 1.000000 1 s 0.367753 1.000000 9 p 0.008008 -0.005632 p 0.018417 0.031052 p 0.042355 0.094286 p 0.097408 0.163876 p 0.224018 -0.003961 p 0.515195 -0.111912 p 1.184839 0.031892 p 2.724878 -0.004517 p 6.266642 0.000588 1 p 0.044555 1.000000 1 p 0.118007 1.000000 1 d 0.182720 1.000000 1 d 0.854471 1.000000 1 f 0.185370 1.000000'); INSERT INTO "data_tab" VALUES(2,'Ga','Element Symbol: Ga Basis-namevdz: vdz HF-Energy: -1.975237 CCSD(T)-Energy: -2.019073 9 s 0.054628 0.253171 s 0.123743 0.598295 s 0.280299 0.356909 s 0.634926 -0.056544 s 1.438218 -0.411266 s 3.257814 0.156079 s 7.379514 -0.025142 s 16.715879 0.004089 s 37.864367 -0.000622 1 s 0.031898 1.000000 9 p 0.029207 0.759400 p 0.064420 -0.022059 p 0.142086 0.368252 p 0.313389 0.051142 p 0.691221 0.036655 p 1.524577 -0.078589 p 3.362652 0.017781 p 7.416764 -0.002498 p 16.358632 0.000386 1 p 0.027155 1.000000 1 d 0.182311 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Ga','Element Symbol: Ga Basis-namevtz: vtz HF-Energy: -1.977538 CCSD(T)-Energy: -2.028322 9 s 0.054628 0.253171 s 0.123743 0.598295 s 0.280299 0.356909 s 0.634926 -0.056544 s 1.438218 -0.411266 s 3.257814 0.156079 s 7.379514 -0.025142 s 16.715879 0.004089 s 37.864367 -0.000622 1 s 0.069703 1.000000 1 s 0.341994 1.000000 9 p 0.029207 0.759400 p 0.064420 -0.022059 p 0.142086 0.368252 p 0.313389 0.051142 p 0.691221 0.036655 p 1.524577 -0.078589 p 3.362652 0.017781 p 7.416764 -0.002498 p 16.358632 0.000386 1 p 0.027309 1.000000 1 p 0.064029 1.000000 1 d 0.105092 1.000000 1 d 0.266379 1.000000 1 f 0.297554 1.000000'); INSERT INTO "data_tab" VALUES(2,'Ge','Element Symbol: Ge Basis-namevdz: vdz HF-Energy: -3.651512 CCSD(T)-Energy: -3.711099 9 s 0.066287 0.213230 s 0.150128 0.605570 s 0.340013 0.413442 s 0.770064 -0.106356 s 1.744049 -0.364579 s 3.949940 0.127448 s 8.945864 -0.017166 s 20.260687 0.002454 s 45.886614 -0.000355 1 s 0.043781 1.000000 9 p 0.036511 0.098680 p 0.080524 0.372290 p 0.177593 0.443836 p 0.391677 0.232585 p 0.863832 0.000058 p 1.905157 -0.108282 p 4.201772 0.021894 p 9.266892 -0.001911 p 20.437873 0.000181 1 p 0.074726 1.000000 1 d 0.234278 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Ge','Element Symbol: Ge Basis-namevtz: vtz HF-Energy: -3.651566 CCSD(T)-Energy: -3.722250 9 s 0.066287 0.213230 s 0.150128 0.605570 s 0.340013 0.413442 s 0.770064 -0.106356 s 1.744049 -0.364579 s 3.949940 0.127448 s 8.945864 -0.017166 s 20.260687 0.002454 s 45.886614 -0.000355 1 s 0.091049 1.000000 1 s 0.445676 1.000000 9 p 0.036511 0.098680 p 0.080524 0.372290 p 0.177593 0.443836 p 0.391677 0.232585 p 0.863832 0.000058 p 1.905157 -0.108282 p 4.201772 0.021894 p 9.266892 -0.001911 p 20.437873 0.000181 1 p 0.040412 1.000000 1 p 0.092450 1.000000 1 d 0.130147 1.000000 1 d 0.323826 1.000000 1 f 0.352814 1.000000'); INSERT INTO "data_tab" VALUES(2,'As','Element Symbol: As Basis-namevdz: vdz HF-Energy: -6.042213 CCSD(T)-Energy: -6.112605 9 s 0.079412 0.192043 s 0.178687 0.611682 s 0.402068 0.439261 s 0.904702 -0.110280 s 2.035691 -0.394179 s 4.580555 0.145632 s 10.306811 -0.021379 s 23.191593 0.003205 s 52.183937 -0.000469 1 s 0.051480 1.000000 9 p 0.050626 0.105058 p 0.108692 0.361819 p 0.233354 0.452107 p 0.500995 0.231243 p 1.075603 -0.009549 p 2.309248 -0.121767 p 4.957802 0.028648 p 10.644071 -0.002941 p 22.852115 0.000293 1 p 0.095623 1.000000 1 d 0.297652 1.000000 '); INSERT INTO "data_tab" VALUES(3,'As','Element Symbol: As Basis-namevtz: vtz HF-Energy: -6.042212 CCSD(T)-Energy: -6.133416 9 s 0.079412 0.192043 s 0.178687 0.611682 s 0.402068 0.439261 s 0.904702 -0.110280 s 2.035691 -0.394179 s 4.580555 0.145632 s 10.306811 -0.021379 s 23.191593 0.003205 s 52.183937 -0.000469 1 s 0.113088 1.000000 1 s 0.540159 1.000000 9 p 0.050626 0.105058 p 0.108692 0.361819 p 0.233354 0.452107 p 0.500995 0.231243 p 1.075603 -0.009549 p 2.309248 -0.121767 p 4.957802 0.028648 p 10.644071 -0.002941 p 22.852115 0.000293 1 p 0.612326 1.000000 1 p 0.100851 1.000000 1 d 0.165790 1.000000 1 d 0.412063 1.000000 1 f 0.425290 1.000000'); INSERT INTO "data_tab" VALUES(2,'Se','Element Symbol: Se Basis-namevdz: vdz HF-Energy: -9.130646 CCSD(T)-Energy: -9.221187 9 s 0.096883 0.200965 s 0.217674 0.615093 s 0.489067 0.462636 s 1.098828 -0.204179 s 2.468828 -0.307584 s 5.546920 0.109895 s 12.462726 -0.012288 s 28.001040 0.001205 s 62.912258 -0.000132 1 s 0.062467 1.000000 9 p 0.056147 0.073504 p 0.122259 0.334692 p 0.266220 0.473323 p 0.579694 0.276571 p 1.262286 -0.032356 p 2.748631 -0.103709 p 5.985152 0.020181 p 13.032685 -0.001095 p 28.378708 0.000019 1 p 0.107381 1.000000 1 d 0.348649 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Se','Element Symbol: Se Basis-namevtz: vtz HF-Energy: -9.132375 CCSD(T)-Energy: -9.258881 9 s 0.096883 0.200965 s 0.217674 0.615093 s 0.489067 0.462636 s 1.098828 -0.204179 s 2.468828 -0.307584 s 5.546920 0.109895 s 12.462726 -0.012288 s 28.001040 0.001205 s 62.912258 -0.000132 1 s 0.130387 1.000000 1 s 0.584755 1.000000 9 p 0.056147 0.073504 p 0.122259 0.334692 p 0.266220 0.473323 p 0.579694 0.276571 p 1.262286 -0.032356 p 2.748631 -0.103709 p 5.985152 0.020181 p 13.032685 -0.001095 p 28.378708 0.000019 1 p 0.069683 1.000000 1 p 0.141231 1.000000 1 d 0.195235 1.000000 1 d 0.471051 1.000000 1 f 0.466246 1.000000'); INSERT INTO "data_tab" VALUES(2,'Br','Element Symbol: Br Basis-namevdz: vdz HF-Energy: -13.124612 CCSD(T)-Energy: -13.235352 9 s 0.114626 0.199832 s 0.253024 0.605806 s 0.558520 0.486414 s 1.232866 -0.208964 s 2.721403 -0.328448 s 6.007171 0.118471 s 13.260109 -0.013112 s 29.270100 0.001206 s 64.610234 -0.000121 1 s 0.074712 1.000000 9 p 0.067990 0.107992 p 0.145507 0.331860 p 0.311403 0.442871 p 0.666441 0.283256 p 1.426267 -0.026045 p 3.052389 -0.111323 p 6.532494 0.021712 p 13.980353 -0.001188 p 29.919703 0.000022 1 p 0.129654 1.000000 1 d 0.417296 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Br','Element Symbol: Br Basis-namevtz: vtz HF-Energy: -13.125979 CCSD(T)-Energy: -13.288432 9 s 0.114626 0.199832 s 0.253024 0.605806 s 0.558520 0.486414 s 1.232866 -0.208964 s 2.721403 -0.328448 s 6.007171 0.118471 s 13.260109 -0.013112 s 29.270100 0.001206 s 64.610234 -0.000121 1 s 0.154401 1.000000 1 s 0.660618 1.000000 9 p 0.067990 0.107992 p 0.145507 0.331860 p 0.311403 0.442871 p 0.666441 0.283256 p 1.426267 -0.026045 p 3.052389 -0.111323 p 6.532494 0.021712 p 13.980353 -0.001188 p 29.919703 0.000022 1 p 0.078655 1.000000 1 p 0.164043 1.000000 1 d 0.234980 1.000000 1 d 0.568017 1.000000 1 f 0.555711 1.000000'); INSERT INTO "data_tab" VALUES(2,'Kr','Element Symbol: Kr Basis-namevdz: vdz HF-Energy: -18.128728 CCSD(T)-Energy: -18.252979 9 s 0.129911 0.183453 s 0.282220 0.596016 s 0.613098 0.506410 s 1.331901 -0.150926 s 2.893437 -0.423611 s 6.285735 0.162644 s 13.655203 -0.023284 s 29.664719 0.003157 s 64.443973 -0.000422 1 s 0.634619 1.000000 9 p 0.079314 0.096705 p 0.167216 0.312567 p 0.352539 0.448237 p 0.743252 0.298640 p 1.566988 -0.003641 p 3.303659 -0.138798 p 6.965055 0.029989 p 14.684325 -0.002578 p 30.958748 0.000205 1 p 0.149902 1.000000 1 d 0.487932 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Kr','Element Symbol: Kr Basis-namevtz: vtz HF-Energy: -18.128728 CCSD(T)-Energy: -18.321380 9 s 0.129911 0.183453 s 0.282220 0.596016 s 0.613098 0.506410 s 1.331901 -0.150926 s 2.893437 -0.423611 s 6.285735 0.162644 s 13.655203 -0.023284 s 29.664719 0.003157 s 64.443973 -0.000422 1 s 0.179349 1.000000 1 s 0.755436 1.000000 9 p 0.079314 0.096705 p 0.167216 0.312567 p 0.352539 0.448237 p 0.743252 0.298640 p 1.566988 -0.003641 p 3.303659 -0.138798 p 6.965055 0.029989 p 14.684325 -0.002578 p 30.958748 0.000205 1 p 0.094685 1.000000 1 p 0.189991 1.000000 1 d 0.279731 1.000000 1 d 0.675347 1.000000 1 f 0.685639 1.000000'); INSERT INTO "data_tab" VALUES(2,'Rb','Element Symbol: Rb Basis-namevdz: vdz HF-Energy: -0.139568 CCSD(T)-Energy: -0.139568 9 s 0.015824 0.483651 s 0.036041 0.682975 s 0.082088 -0.024815 s 0.186966 -0.191050 s 0.425839 -0.214531 s 0.969902 0.147399 s 2.209071 -0.038358 s 5.031431 0.007363 s 11.459706 -0.001094 1 s 0.017125 1.000000 9 p 0.009962 0.130254 p 0.023857 0.223104 p 0.057128 -0.295955 p 0.136803 0.122174 p 0.327596 0.000501 p 0.784480 -0.005930 p 1.878563 0.001091 p 4.498517 -0.000097 p 10.772413 -0.000002 1 p 0.014140 1.000000 1 d 0.037953 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Rb','Element Symbol: Rb Basis-namevtz: vtz HF-Energy: -0.139568 CCSD(T)-Energy: -0.139568 9 s 0.015824 0.483651 s 0.036041 0.682975 s 0.082088 -0.024815 s 0.186966 -0.191050 s 0.425839 -0.214531 s 0.969902 0.147399 s 2.209071 -0.038358 s 5.031431 0.007363 s 11.459706 -0.001094 1 s 0.046223 1.000000 1 s 0.150890 1.000000 9 p 0.009962 0.130254 p 0.023857 0.223104 p 0.057128 -0.295955 p 0.136803 0.122174 p 0.327596 0.000501 p 0.784480 -0.005930 p 1.878563 0.001091 p 4.498517 -0.000097 p 10.772413 -0.000002 1 p 0.017975 1.000000 1 p 0.139593 1.000000 1 d 0.048316 1.000000 1 d 0.511469 1.000000 1 f 0.061541 1.000000'); INSERT INTO "data_tab" VALUES(2,'Sr','Element Symbol: Sr Basis-namevdz: vdz HF-Energy: -1.672139 CCSD(T)-Energy: -1.737614 9 s 0.019429 0.044654 s 0.043476 0.138301 s 0.097283 0.169624 s 0.217685 -0.093894 s 0.487102 -0.247613 s 1.089961 0.160101 s 2.438947 -0.043595 s 5.457499 0.008684 s 12.211949 -0.001296 1 s 0.091481 1.000000 9 p 0.027297 0.079015 p 0.055025 0.109563 p 0.110920 0.096798 p 0.223593 -0.047473 p 0.450721 -0.171028 p 0.908566 0.104848 p 1.831493 -0.029516 p 3.691937 0.006196 p 7.442231 -0.000955 1 p 0.098678 1.000000 1 d 0.433416 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Sr','Element Symbol: Sr Basis-namevtz: vtz HF-Energy: -1.675765 CCSD(T)-Energy: -1.745003 9 s 0.019429 0.044654 s 0.043476 0.138301 s 0.097283 0.169624 s 0.217685 -0.093894 s 0.487102 -0.247613 s 1.089961 0.160101 s 2.438947 -0.043595 s 5.457499 0.008684 s 12.211949 -0.001296 1 s 0.058772 1.000000 1 s 0.399132 1.000000 9 p 0.027297 0.079015 p 0.055025 0.109563 p 0.110920 0.096798 p 0.223593 -0.047473 p 0.450721 -0.171028 p 0.908566 0.104848 p 1.831493 -0.029516 p 3.691937 0.006196 p 7.442231 -0.000955 1 p 0.283264 1.000000 1 p 0.103874 1.000000 1 d 0.119806 1.000000 1 d 0.528269 1.000000 1 f 0.164546 1.000000'); INSERT INTO "data_tab" VALUES(2,'In','Element Symbol: In Basis-namevdz: vdz HF-Energy: -1.789168 CCSD(T)-Energy: -1.828073 9 s 0.048513 0.266560 s 0.104327 0.595345 s 0.224354 0.377654 s 0.482469 -0.036404 s 1.037542 -0.581005 s 2.231217 0.270265 s 4.798193 -0.053715 s 10.318430 0.008961 s 22.189605 -0.001283 1 s 0.024011 1.000000 9 p 0.024898 0.739358 p 0.052455 -0.048330 p 0.110513 0.414377 p 0.232832 0.046307 p 0.490534 0.047980 p 1.033468 -0.124316 p 2.177331 0.037471 p 4.587245 -0.006011 p 9.664500 0.000835 1 p 0.022887 1.000000 1 d 0.136213 1.000000 '); INSERT INTO "data_tab" VALUES(3,'In','Element Symbol: In Basis-namevtz: vtz HF-Energy: -1.791298 CCSD(T)-Energy: -1.835936 9 s 0.048513 0.266560 s 0.104327 0.595345 s 0.224354 0.377654 s 0.482469 -0.036404 s 1.037542 -0.581005 s 2.231217 0.270265 s 4.798193 -0.053715 s 10.318430 0.008961 s 22.189605 -0.001283 1 s 0.061026 1.000000 1 s 0.254654 1.000000 9 p 0.024898 0.739358 p 0.052455 -0.048330 p 0.110513 0.414377 p 0.232832 0.046307 p 0.490534 0.047980 p 1.033468 -0.124316 p 2.177331 0.037471 p 4.587245 -0.006011 p 9.664500 0.000835 1 p 0.023836 1.000000 1 p 0.047183 1.000000 1 d 0.092239 1.000000 1 d 0.190116 1.000000 1 f 0.255751 1.000000'); INSERT INTO "data_tab" VALUES(2,'Sn','Element Symbol: Sn Basis-namevdz: vdz HF-Energy: -3.244277 CCSD(T)-Energy: -3.297181 9 s 0.059000 0.238882 s 0.124327 0.598806 s 0.261986 0.422531 s 0.552065 -0.035727 s 1.163330 -0.631790 s 2.451407 0.294297 s 5.165685 -0.057592 s 10.885303 0.009333 s 22.937872 -0.001298 1 s 0.031199 1.000000 9 p 0.030513 0.083958 p 0.063306 0.340660 p 0.131342 0.458257 p 0.272497 0.257950 p 0.565351 0.020922 p 1.172938 -0.189121 p 2.433504 0.054068 p 5.048810 -0.007013 p 10.474808 0.000749 1 p 0.058385 1.000000 1 d 0.170348 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Sn','Element Symbol: Sn Basis-namevtz: vtz HF-Energy: -3.244331 CCSD(T)-Energy: -3.308613 9 s 0.059000 0.238882 s 0.124327 0.598806 s 0.261986 0.422531 s 0.552065 -0.035727 s 1.163330 -0.631790 s 2.451407 0.294297 s 5.165685 -0.057592 s 10.885303 0.009333 s 22.937872 -0.001298 1 s 0.078210 1.000000 1 s 0.308424 1.000000 9 p 0.030513 0.083958 p 0.063306 0.340660 p 0.131342 0.458257 p 0.272497 0.257950 p 0.565351 0.020922 p 1.172938 -0.189121 p 2.433504 0.054068 p 5.048810 -0.007013 p 10.474808 0.000749 1 p 0.064892 1.000000 1 p 0.376619 1.000000 1 d 0.107845 1.000000 1 d 0.223450 1.000000 1 f 0.281256 1.000000'); INSERT INTO "data_tab" VALUES(2,'Sb','Element Symbol: Sb Basis-namevdz: vdz HF-Energy: -5.283212 CCSD(T)-Energy: -5.345312 9 s 0.069280 0.217459 s 0.143940 0.599932 s 0.299056 0.459407 s 0.621332 -0.042472 s 1.290905 -0.650362 s 2.682040 0.298333 s 5.572320 -0.056893 s 11.577290 0.009102 s 24.053472 -0.001255 1 s 0.037942 1.000000 9 p 0.040092 0.081712 p 0.080679 0.322605 p 0.162356 0.464722 p 0.326720 0.277088 p 0.657481 0.009090 p 1.323093 -0.194825 p 2.662550 0.054392 p 5.358030 -0.006455 p 10.782327 0.000629 1 p 0.073629 1.000000 1 d 0.210604 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Sb','Element Symbol: Sb Basis-namevtz: vtz HF-Energy: -5.283212 CCSD(T)-Energy: -5.364895 9 s 0.069280 0.217459 s 0.143940 0.599932 s 0.299056 0.459407 s 0.621332 -0.042472 s 1.290905 -0.650362 s 2.682040 0.298333 s 5.572320 -0.056893 s 11.577290 0.009102 s 24.053472 -0.001255 1 s 0.095057 1.000000 1 s 0.381961 1.000000 9 p 0.040092 0.081712 p 0.080679 0.322605 p 0.162356 0.464722 p 0.326720 0.277088 p 0.657481 0.009090 p 1.323093 -0.194825 p 2.662550 0.054392 p 5.358030 -0.006455 p 10.782327 0.000629 1 p 0.444761 1.000000 1 p 0.083227 1.000000 1 d 0.132431 1.000000 1 d 0.277357 1.000000 1 f 0.335242 1.000000'); INSERT INTO "data_tab" VALUES(2,'Te','Element Symbol: Te Basis-namevdz: vdz HF-Energy: -7.872220 CCSD(T)-Energy: -7.950924 9 s 0.075142 0.172506 s 0.157584 0.588177 s 0.330475 0.542659 s 0.693051 -0.103930 s 1.453424 -0.570963 s 3.048032 0.239627 s 6.392144 -0.037900 s 13.405211 0.005057 s 28.112581 -0.000643 1 s 0.045193 1.000000 9 p 0.044821 0.059581 p 0.089826 0.289200 p 0.180021 0.467423 p 0.360780 0.331776 p 0.723040 0.005406 p 1.449048 -0.191721 p 2.904042 0.045538 p 5.820001 -0.003600 p 11.663885 0.000205 1 p 0.080058 1.000000 1 d 0.238566 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Te','Element Symbol: Te Basis-namevtz: vtz HF-Energy: -7.873626 CCSD(T)-Energy: -7.988770 9 s 0.075142 0.172506 s 0.157584 0.588177 s 0.330475 0.542659 s 0.693051 -0.103930 s 1.453424 -0.570963 s 3.048032 0.239627 s 6.392144 -0.037900 s 13.405211 0.005057 s 28.112581 -0.000643 1 s 0.104759 1.000000 1 s 0.409341 1.000000 9 p 0.044821 0.059581 p 0.089826 0.289200 p 0.180021 0.467423 p 0.360780 0.331776 p 0.723040 0.005406 p 1.449048 -0.191721 p 2.904042 0.045538 p 5.820001 -0.003600 p 11.663885 0.000205 1 p 0.083068 1.000000 1 p 0.468540 1.000000 1 d 0.156856 1.000000 1 d 0.310218 1.000000 1 f 0.355218 1.000000'); INSERT INTO "data_tab" VALUES(2,'I','Element Symbol: I Basis-namevdz: vdz HF-Energy: -11.178777 CCSD(T)-Energy: -11.270900 9 s 0.093293 0.205902 s 0.193211 0.623144 s 0.400142 0.491788 s 0.828698 -0.113418 s 1.716243 -0.678442 s 3.554356 0.356660 s 7.361107 -0.078676 s 15.244927 0.013475 s 31.572396 -0.001859 1 s 0.047406 1.000000 9 p 0.056487 0.112792 p 0.113038 0.317009 p 0.226204 0.456514 p 0.452663 0.284746 p 0.905837 -0.012076 p 1.812697 -0.230182 p 3.627439 0.082214 p 7.258973 -0.012492 p 14.526139 0.001285 1 p 0.088978 1.000000 1 d 0.269408 1.000000 '); INSERT INTO "data_tab" VALUES(3,'I','Element Symbol: I Basis-namevtz: vtz HF-Energy: -11.180081 CCSD(T)-Energy: -11.325501 9 s 0.093293 0.205902 s 0.193211 0.623144 s 0.400142 0.491788 s 0.828698 -0.113418 s 1.716243 -0.678442 s 3.554356 0.356660 s 7.361107 -0.078676 s 15.244927 0.013475 s 31.572396 -0.001859 1 s 0.130955 1.000000 1 s 0.352610 1.000000 9 p 0.056487 0.112792 p 0.113038 0.317009 p 0.226204 0.456514 p 0.452663 0.284746 p 0.905837 -0.012076 p 1.812697 -0.230182 p 3.627439 0.082214 p 7.258973 -0.012492 p 14.526139 0.001285 1 p 0.107932 1.000000 1 p 0.587427 1.000000 1 d 0.189832 1.000000 1 d 0.346633 1.000000 1 f 0.430486 1.000000'); INSERT INTO "data_tab" VALUES(2,'Xe','Element Symbol: Xe Basis-namevdz: vdz HF-Energy: -15.276046 CCSD(T)-Energy: -15.367146 9 s 0.102640 0.191464 s 0.213839 0.622770 s 0.445507 0.534309 s 0.928158 -0.198001 s 1.933703 -0.566409 s 4.028632 0.286498 s 8.393159 -0.056363 s 17.486112 0.008649 s 36.430159 -0.001133 1 s 0.476026 1.000000 9 p 0.064650 0.098971 p 0.128837 0.311502 p 0.256753 0.460882 p 0.511669 0.309078 p 1.019678 -0.040260 p 2.032062 -0.202851 p 4.049587 0.067000 p 8.070204 -0.008468 p 16.082675 0.000710 1 p 0.404825 1.000000 1 d 0.299432 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Xe','Element Symbol: Xe Basis-namevtz: vtz HF-Energy: -15.276046 CCSD(T)-Energy: -15.445559 9 s 0.102640 0.191464 s 0.213839 0.622770 s 0.445507 0.534309 s 0.928158 -0.198001 s 1.933703 -0.566409 s 4.028632 0.286498 s 8.393159 -0.056363 s 17.486112 0.008649 s 36.430159 -0.001133 1 s 0.141271 1.000000 1 s 0.525354 1.000000 9 p 0.064650 0.098971 p 0.128837 0.311502 p 0.256753 0.460882 p 0.511669 0.309078 p 1.019678 -0.040260 p 2.032062 -0.202851 p 4.049587 0.067000 p 8.070204 -0.008468 p 16.082675 0.000710 1 p 0.129211 1.000000 1 p 0.655418 1.000000 1 d 0.226214 1.000000 1 d 0.397375 1.000000 1 f 0.496836 1.000000'); INSERT INTO "data_tab" VALUES(2,'Cs','Element Symbol: Cs Basis-namevdz: vdz HF-Energy: -0.127674 CCSD(T)-Energy: -0.127674 9 s 0.011442 0.303329 s 0.025922 0.824883 s 0.058728 0.058011 s 0.133054 -0.209752 s 0.301446 -0.290149 s 0.682952 0.194247 s 1.547285 -0.052400 s 3.505507 0.010597 s 7.942027 -0.001633 1 s 0.031425 1.000000 9 p 0.008763 0.107173 p 0.019961 0.250585 p 0.045467 -0.348843 p 0.103563 0.160806 p 0.235895 -0.011956 p 0.537318 -0.001447 p 1.223896 -0.000973 p 2.787774 0.000658 p 6.349954 -0.000179 1 p 0.187114 1.000000 1 d 0.105800 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Cs','Element Symbol: Cs Basis-namevtz: vtz HF-Energy: -0.127674 CCSD(T)-Energy: -0.127674 9 s 0.011442 0.303329 s 0.025922 0.824883 s 0.058728 0.058011 s 0.133054 -0.209752 s 0.301446 -0.290149 s 0.682952 0.194247 s 1.547285 -0.052400 s 3.505507 0.010597 s 7.942027 -0.001633 1 s 0.030554 1.000000 1 s 0.113847 1.000000 9 p 0.008763 0.107173 p 0.019961 0.250585 p 0.045467 -0.348843 p 0.103563 0.160806 p 0.235895 -0.011956 p 0.537318 -0.001447 p 1.223896 -0.000973 p 2.787774 0.000658 p 6.349954 -0.000179 1 p 0.014390 1.000000 1 p 0.116111 1.000000 1 d 0.055589 1.000000 1 d 0.241832 1.000000 1 f 0.180414 1.000000'); INSERT INTO "data_tab" VALUES(2,'Ba','Element Symbol: Ba Basis-namevdz: vdz HF-Energy: -1.610170 CCSD(T)-Energy: -1.675304 9 s 0.026951 0.124528 s 0.061991 0.149294 s 0.142589 0.000545 s 0.327978 -0.296677 s 0.754402 0.159361 s 1.735248 -0.038868 s 3.991352 0.007982 s 9.180759 -0.001801 s 21.117236 0.000323 1 s 0.074407 1.000000 9 p 0.004072 0.001465 p 0.009364 -0.008152 p 0.021535 0.082879 p 0.049525 0.134238 p 0.113895 0.044910 p 0.261930 -0.204506 p 0.602371 0.071512 p 1.385297 -0.012600 p 3.185823 0.001672 1 p 0.082723 1.000000 1 d 0.290433 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Ba','Element Symbol: Ba Basis-namevtz: vtz HF-Energy: -1.614237 CCSD(T)-Energy: -1.682836 9 s 0.026951 0.124528 s 0.061991 0.149294 s 0.142589 0.000545 s 0.327978 -0.296677 s 0.754402 0.159361 s 1.735248 -0.038868 s 3.991352 0.007982 s 9.180759 -0.001801 s 21.117236 0.000323 1 s 0.046036 1.000000 1 s 0.358001 1.000000 9 p 0.004072 0.001465 p 0.009364 -0.008152 p 0.021535 0.082879 p 0.049525 0.134238 p 0.113895 0.044910 p 0.261930 -0.204506 p 0.602371 0.071512 p 1.385297 -0.012600 p 3.185823 0.001672 1 p 0.179177 1.000000 1 p 0.108351 1.000000 1 d 0.083501 1.000000 1 d 0.336189 1.000000 1 f 0.166563 1.000000'); INSERT INTO "data_tab" VALUES(2,'Tl','Element Symbol: Tl Basis-namevdz: vdz HF-Energy: -1.885092 CCSD(T)-Energy: -1.914322 9 s 0.062145 0.342000 s 0.123848 0.545081 s 0.246813 0.349532 s 0.491866 0.191962 s 0.980226 -1.133349 s 1.953465 0.667322 s 3.893007 -0.183402 s 7.758267 0.036089 s 15.461238 -0.005048 1 s 0.093384 1.000000 9 p 0.026802 0.849514 p 0.054580 -0.193930 p 0.111148 0.480000 p 0.226344 -0.014563 p 0.460933 0.099645 p 0.938656 -0.202294 p 1.911505 0.080577 p 3.892639 -0.016631 p 7.927075 0.002321 1 p 0.022400 1.000000 1 d 0.118701 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Tl','Element Symbol: Tl Basis-namevtz: vtz HF-Energy: -1.882960 CCSD(T)-Energy: -1.920596 9 s 0.062145 0.342000 s 0.123848 0.545081 s 0.246813 0.349532 s 0.491866 0.191962 s 0.980226 -1.133349 s 1.953465 0.667322 s 3.893007 -0.183402 s 7.758267 0.036089 s 15.461238 -0.005048 1 s 0.068675 1.000000 1 s 0.224321 1.000000 9 p 0.026802 0.849514 p 0.054580 -0.193930 p 0.111148 0.480000 p 0.226344 -0.014563 p 0.460933 0.099645 p 0.938656 -0.202294 p 1.911505 0.080577 p 3.892639 -0.016631 p 7.927075 0.002321 1 p 0.028046 1.000000 1 p 0.141424 1.000000 1 d 0.149051 1.000000 1 d 0.594749 1.000000 1 f 0.231618 1.000000'); INSERT INTO "data_tab" VALUES(2,'Pb','Element Symbol: Pb Basis-namevdz: vdz HF-Energy: -3.307080 CCSD(T)-Energy: -3.347796 9 s 0.073981 0.324264 s 0.147087 0.571155 s 0.292431 0.374051 s 0.581400 0.124749 s 1.155914 -1.112721 s 2.298139 0.681231 s 4.569061 -0.191716 s 9.084013 0.037806 s 18.060446 -0.005225 1 s 0.027053 1.000000 9 p 0.036515 0.171402 p 0.072248 0.355473 p 0.142946 0.438265 p 0.282828 0.182315 p 0.559594 0.038526 p 1.107191 -0.295227 p 2.190647 0.129708 p 4.334333 -0.025877 p 8.575748 0.003106 1 p 0.050333 1.000000 1 d 0.143903 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Pb','Element Symbol: Pb Basis-namevtz: vtz HF-Energy: -3.307077 CCSD(T)-Energy: -3.359866 9 s 0.073981 0.324264 s 0.147087 0.571155 s 0.292431 0.374051 s 0.581400 0.124749 s 1.155914 -1.112721 s 2.298139 0.681231 s 4.569061 -0.191716 s 9.084013 0.037806 s 18.060446 -0.005225 1 s 0.093738 1.000000 1 s 0.216294 1.000000 9 p 0.036515 0.171402 p 0.072248 0.355473 p 0.142946 0.438265 p 0.282828 0.182315 p 0.559594 0.038526 p 1.107191 -0.295227 p 2.190647 0.129708 p 4.334333 -0.025877 p 8.575748 0.003106 1 p 0.364049 1.000000 1 p 0.064386 1.000000 1 d 0.172323 1.000000 1 d 0.607293 1.000000 1 f 0.238404 1.000000'); INSERT INTO "data_tab" VALUES(2,'Bi','Element Symbol: Bi Basis-namevdz: vdz HF-Energy: -5.265446 CCSD(T)-Energy: -5.312492 9 s 0.082248 0.282386 s 0.164490 0.593494 s 0.328968 0.424216 s 0.657912 0.038472 s 1.315777 -0.999227 s 2.631462 0.598472 s 5.262739 -0.160394 s 10.525107 0.030465 s 21.049473 -0.004168 1 s 0.033232 1.000000 9 p 0.044793 0.143664 p 0.087289 0.347153 p 0.170104 0.460130 p 0.331490 0.210922 p 0.645988 0.005175 p 1.258866 -0.293261 p 2.453207 0.131047 p 4.780671 -0.025394 p 9.316301 0.002893 1 p 0.061071 1.000000 1 d 0.168534 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Bi','Element Symbol: Bi Basis-namevtz: vtz HF-Energy: -5.265442 CCSD(T)-Energy: -5.331111 9 s 0.082248 0.282386 s 0.164490 0.593494 s 0.328968 0.424216 s 0.657912 0.038472 s 1.315777 -0.999227 s 2.631462 0.598472 s 5.262739 -0.160394 s 10.525107 0.030465 s 21.049473 -0.004168 1 s 0.106821 1.000000 1 s 0.302685 1.000000 9 p 0.044793 0.143664 p 0.087289 0.347153 p 0.170104 0.460130 p 0.331490 0.210922 p 0.645988 0.005175 p 1.258866 -0.293261 p 2.453207 0.131047 p 4.780671 -0.025394 p 9.316301 0.002893 1 p 0.418167 1.000000 1 p 0.080749 1.000000 1 d 0.202607 1.000000 1 d 0.774412 1.000000 1 f 0.256449 1.000000'); INSERT INTO "data_tab" VALUES(2,'Po','Element Symbol: Po Basis-namevdz: vdz HF-Energy: -7.719173 CCSD(T)-Energy: -7.776804 9 s 0.088283 0.231892 s 0.178248 0.604604 s 0.359891 0.486838 s 0.726636 -0.020877 s 1.467111 -0.915693 s 2.962164 0.530287 s 5.980742 -0.134624 s 12.075388 0.024651 s 24.380753 -0.003353 1 s 0.037768 1.000000 9 p 0.044924 0.081132 p 0.089086 0.312154 p 0.176659 0.485758 p 0.350319 0.289954 p 0.694690 -0.005099 p 1.377585 -0.290284 p 2.731780 0.120724 p 5.417177 -0.021788 p 10.742374 0.002411 1 p 0.062466 1.000000 1 d 0.180317 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Po','Element Symbol: Po Basis-namevtz: vtz HF-Energy: -7.720131 CCSD(T)-Energy: -7.811554 9 s 0.088283 0.231892 s 0.178248 0.604604 s 0.359891 0.486838 s 0.726636 -0.020877 s 1.467111 -0.915693 s 2.962164 0.530287 s 5.980742 -0.134624 s 12.075388 0.024651 s 24.380753 -0.003353 1 s 0.121540 1.000000 1 s 0.294130 1.000000 9 p 0.044924 0.081132 p 0.089086 0.312154 p 0.176659 0.485758 p 0.350319 0.289954 p 0.694690 -0.005099 p 1.377585 -0.290284 p 2.731780 0.120724 p 5.417177 -0.021788 p 10.742374 0.002411 1 p 0.085474 1.000000 1 p 0.447719 1.000000 1 d 0.223321 1.000000 1 d 0.766801 1.000000 1 f 0.260178 1.000000'); INSERT INTO "data_tab" VALUES(2,'At','Element Symbol: At Basis-namevdz: vdz HF-Energy: -10.819016 CCSD(T)-Energy: -10.889430 9 s 0.100143 0.225290 s 0.199361 0.601541 s 0.396881 0.515609 s 0.790095 -0.010167 s 1.572891 -0.996102 s 3.131250 0.588717 s 6.233573 -0.152415 s 12.409558 0.028000 s 24.704472 -0.003759 1 s 0.042701 1.000000 9 p 0.053678 0.126224 p 0.104254 0.308300 p 0.202485 0.458455 p 0.393270 0.283998 p 0.763818 0.007241 p 1.483503 -0.319237 p 2.881292 0.136193 p 5.596107 -0.024849 p 10.868879 0.002680 1 p 0.074570 1.000000 1 d 0.204779 1.000000 '); INSERT INTO "data_tab" VALUES(3,'At','Element Symbol: At Basis-namevtz: vtz HF-Energy: -10.820093 CCSD(T)-Energy: -10.936769 9 s 0.100143 0.225290 s 0.199361 0.601541 s 0.396881 0.515609 s 0.790095 -0.010167 s 1.572891 -0.996102 s 3.131250 0.588717 s 6.233573 -0.152415 s 12.409558 0.028000 s 24.704472 -0.003759 1 s 0.126317 1.000000 1 s 0.348625 1.000000 9 p 0.053678 0.126224 p 0.104254 0.308300 p 0.202485 0.458455 p 0.393270 0.283998 p 0.763818 0.007241 p 1.483503 -0.319237 p 2.881292 0.136193 p 5.596107 -0.024849 p 10.868879 0.002680 1 p 0.505772 1.000000 1 p 0.098494 1.000000 1 d 0.251072 1.000000 1 d 0.812390 1.000000 1 f 0.303469 1.000000'); INSERT INTO "data_tab" VALUES(2,'Rn','Element Symbol: Rn Basis-namevdz: vdz HF-Energy: -14.624183 CCSD(T)-Energy: -14.692789 9 s 0.107979 0.206817 s 0.216651 0.608890 s 0.434692 0.544015 s 0.872173 -0.082252 s 1.749941 -0.878709 s 3.511108 0.506465 s 7.044740 -0.124315 s 14.134673 0.021988 s 28.360021 -0.002930 1 s 0.459987 1.000000 9 p 0.061896 0.115991 p 0.119480 0.305963 p 0.230636 0.465939 p 0.445207 0.298902 p 0.859401 -0.018422 p 1.658936 -0.304231 p 3.202311 0.129646 p 6.181551 -0.022935 p 11.932499 0.002383 1 p 0.365679 1.000000 1 d 0.226604 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Rn','Element Symbol: Rn Basis-namevtz: vtz HF-Energy: -14.624183 CCSD(T)-Energy: -14.758992 9 s 0.107979 0.206817 s 0.216651 0.608890 s 0.434692 0.544015 s 0.872173 -0.082252 s 1.749941 -0.878709 s 3.511108 0.506465 s 7.044740 -0.124315 s 14.134673 0.021988 s 28.360021 -0.002930 1 s 0.139908 1.000000 1 s 0.407257 1.000000 9 p 0.061896 0.115991 p 0.119480 0.305963 p 0.230636 0.465939 p 0.445207 0.298902 p 0.859401 -0.018422 p 1.658936 -0.304231 p 3.202311 0.129646 p 6.181551 -0.022935 p 11.932499 0.002383 1 p 0.571486 1.000000 1 p 0.116353 1.000000 1 d 0.282444 1.000000 1 d 0.826899 1.000000 1 f 0.343560 1.000000'); INSERT INTO "data_tab" VALUES(2,'H','Element Symbol: H Basis-namevdz: vdz HF-Energy: -0.499045 CCSD(T)-Energy: -0.499045 9 s 0.013000 0.000706 s 0.029900 -0.002119 s 0.068770 0.057693 s 0.158170 0.230695 s 0.363792 0.277612 s 0.836721 0.169833 s 1.924458 0.097443 s 4.426254 0.029966 s 10.180385 -0.000452 1 s 0.170483 1.000000 9 p 0.003000 0.001242 p 0.007800 -0.000913 p 0.020281 -0.000054 p 0.052730 -0.000238 p 0.137097 -0.011530 p 0.356451 -0.018235 p 0.926774 -0.013929 p 2.409612 -0.009395 p 6.264991 -0.000347 '); INSERT INTO "data_tab" VALUES(3,'H','Element Symbol: H Basis-namevtz: vtz HF-Energy: -0.499043 CCSD(T)-Energy: -0.499043 9 s 0.013000 0.000706 s 0.029900 -0.002119 s 0.068770 0.057693 s 0.158170 0.230695 s 0.363792 0.277612 s 0.836721 0.169833 s 1.924458 0.097443 s 4.426254 0.029966 s 10.180385 -0.000452 1 s 0.170654 1.000000 9 p 0.003000 0.001242 p 0.007800 -0.000913 p 0.020281 -0.000054 p 0.052730 -0.000238 p 0.137097 -0.011530 p 0.356451 -0.018235 p 0.926774 -0.013929 p 2.409612 -0.009395 p 6.264991 -0.000347 1 p 0.495357 1.000000 1 d 0.955745 1.000000 '); INSERT INTO "data_tab" VALUES(4,'H','Element Symbol: H Basis-namevqz: vqz HF-Energy: -0.499916 CCSD(T)-Energy: -0.499916 9 s 0.013000 0.000706 s 0.029900 -0.002119 s 0.068770 0.057693 s 0.158170 0.230695 s 0.363792 0.277612 s 0.836721 0.169833 s 1.924458 0.097443 s 4.426254 0.029966 s 10.180385 -0.000452 1 s 0.120599 1.000000 1 s 0.404783 1.000000 1 s 0.715129 1.000000 9 p 0.003000 0.001242 p 0.007800 -0.000913 p 0.020281 -0.000054 p 0.052730 -0.000238 p 0.137097 -0.011530 p 0.356451 -0.018235 p 0.926774 -0.013929 p 2.409612 -0.009395 p 6.264991 -0.000347 1 p 0.774536 1.000000 1 p 0.263038 1.000000 1 d 2.315883 1.000000 1 d 0.636656 1.000000 1 f 1.130819 1.000000 '); INSERT INTO "data_tab" VALUES(5,'H','Element Symbol: H Basis-namev5z: v5z HF-Energy: -0.499905 CCSD(T)-Energy: -0.499905 9 s 0.013000 0.000706 s 0.029900 -0.002119 s 0.068770 0.057693 s 0.158170 0.230695 s 0.363792 0.277612 s 0.836721 0.169833 s 1.924458 0.097443 s 4.426254 0.029966 s 10.180385 -0.000452 1 s 0.122344 1.000000 1 s 0.402892 1.000000 1 s 0.715047 1.000000 1 s 1.379838 1.000000 9 p 0.003000 0.001242 p 0.007800 -0.000913 p 0.020281 -0.000054 p 0.052730 -0.000238 p 0.137097 -0.011530 p 0.356451 -0.018235 p 0.926774 -0.013929 p 2.409612 -0.009395 p 6.264991 -0.000347 1 p 0.784765 1.000000 1 p 0.173606 1.000000 1 p 0.513665 1.000000 1 d 2.917388 1.000000 1 d 0.466379 1.000000 1 d 1.132171 1.000000 1 f 1.649608 1.000000 1 f 0.793185 1.000000 1 g 1.606813 1.000000'); INSERT INTO "data_tab" VALUES(2,'He','Element Symbol: He Basis-namevdz: vdz HF-Energy: -2.861932 CCSD(T)-Energy: -2.878934 9 s 0.077786 0.012425 s 0.161528 0.128251 s 0.335425 0.282221 s 0.696535 0.292427 s 1.446408 0.215025 s 3.003576 0.125450 s 6.237154 0.064912 s 12.951926 0.038892 s 26.895662 0.002531 1 s 0.321750 1.000000 8 p 0.228528 -0.000116 p 0.422019 2.116950 p 0.779333 -2.182954 p 1.439180 1.545850 p 2.657706 -0.879477 p 4.907934 0.469710 p 9.063386 -0.224631 p 16.737180 0.098422 '); INSERT INTO "data_tab" VALUES(3,'He','Element Symbol: He Basis-namevtz: vtz HF-Energy: -2.861932 CCSD(T)-Energy: -2.898728 9 s 0.077786 0.012425 s 0.161528 0.128251 s 0.335425 0.282221 s 0.696535 0.292427 s 1.446408 0.215025 s 3.003576 0.125450 s 6.237154 0.064912 s 12.951926 0.038892 s 26.895662 0.002531 1 s 0.667868 1.000000 1 s 0.224485 1.000000 8 p 0.228528 -0.000116 p 0.422019 2.116950 p 0.779333 -2.182954 p 1.439180 1.545850 p 2.657706 -0.879477 p 4.907934 0.469710 p 9.063386 -0.224631 p 16.737180 0.098422 1 p 1.492028 1.000000 1 d 1.913792 1.000000 '); INSERT INTO "data_tab" VALUES(4,'He','Element Symbol: He Basis-namevqz: vqz HF-Energy: -2.861932 CCSD(T)-Energy: -2.902207 9 s 0.077786 0.012425 s 0.161528 0.128251 s 0.335425 0.282221 s 0.696535 0.292427 s 1.446408 0.215025 s 3.003576 0.125450 s 6.237154 0.064912 s 12.951926 0.038892 s 26.895662 0.002531 1 s 0.937228 1.000000 1 s 1.223567 1.000000 1 s 0.229163 1.000000 8 p 0.228528 -0.000116 p 0.422019 2.116950 p 0.779333 -2.182954 p 1.439180 1.545850 p 2.657706 -0.879477 p 4.907934 0.469710 p 9.063386 -0.224631 p 16.737180 0.098422 1 p 3.888767 1.000000 1 p 1.015492 1.000000 1 d 0.939402 1.000000 1 d 3.054371 1.000000 1 f 1.021427 1.000000 '); INSERT INTO "data_tab" VALUES(5,'He','Element Symbol: He Basis-namev5z: v5z HF-Energy: -2.861932 CCSD(T)-Energy: -2.902789 9 s 0.077786 0.012425 s 0.161528 0.128251 s 0.335425 0.282221 s 0.696535 0.292427 s 1.446408 0.215025 s 3.003576 0.125450 s 6.237154 0.064912 s 12.951926 0.038892 s 26.895662 0.002531 1 s 1.324312 1.000000 1 s 0.876976 1.000000 1 s 0.294075 1.000000 1 s 0.116506 1.000000 8 p 0.228528 -0.000116 p 0.422019 2.116950 p 0.779333 -2.182954 p 1.439180 1.545850 p 2.657706 -0.879477 p 4.907934 0.469710 p 9.063386 -0.224631 p 16.737180 0.098422 1 p 6.741009 1.000000 1 p 2.647340 1.000000 1 p 0.893850 1.000000 1 d 1.842278 1.000000 1 d 2.175208 1.000000 1 d 4.285515 1.000000 1 f 0.749734 1.000000 1 f 1.632074 1.000000 1 g 0.623669 1.000000'); INSERT INTO "data_tab" VALUES(2,'Li','Element Symbol: Li Basis-namevdz: vdz HF-Energy: -0.195611 CCSD(T)-Energy: -0.195611 9 s 0.010125 0.007841 s 0.023437 0.258118 s 0.054251 0.423307 s 0.125581 0.167825 s 0.290697 -0.068332 s 0.672909 -0.119269 s 1.557659 0.007736 s 3.605689 0.003630 s 8.346494 -0.000646 1 s 0.103721 1.000000 9 p 0.018300 -0.005906 p 0.031699 -0.031422 p 0.054908 -0.043628 p 0.095111 -0.016781 p 0.164751 -0.078594 p 0.285379 0.015562 p 0.494330 -0.030830 p 0.856273 0.006185 p 1.483225 -0.008621 1 p 0.070391 1.000000 1 d 0.110720 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Li','Element Symbol: Li Basis-namevtz: vtz HF-Energy: -0.196093 CCSD(T)-Energy: -0.196093 9 s 0.010125 0.007841 s 0.023437 0.258118 s 0.054251 0.423307 s 0.125581 0.167825 s 0.290697 -0.068332 s 0.672909 -0.119269 s 1.557659 0.007736 s 3.605689 0.003630 s 8.346494 -0.000646 1 s 0.026170 1.000000 1 s 0.132259 1.000000 9 p 0.018300 -0.005906 p 0.031699 -0.031422 p 0.054908 -0.043628 p 0.095111 -0.016781 p 0.164751 -0.078594 p 0.285379 0.015562 p 0.494330 -0.030830 p 0.856273 0.006185 p 1.483225 -0.008621 1 p 0.052959 1.000000 1 p 0.110075 1.000000 1 d 0.067795 1.000000 1 d 0.177140 1.000000 1 f 0.180758 1.000000 '); INSERT INTO "data_tab" VALUES(4,'Li','Element Symbol: Li Basis-namevqz: vqz HF-Energy: -0.196307 CCSD(T)-Energy: -0.196307 9 s 0.010125 0.007841 s 0.023437 0.258118 s 0.054251 0.423307 s 0.125581 0.167825 s 0.290697 -0.068332 s 0.672909 -0.119269 s 1.557659 0.007736 s 3.605689 0.003630 s 8.346494 -0.000646 1 s 0.024834 1.000000 1 s 0.109770 1.000000 1 s 0.519693 1.000000 9 p 0.018300 -0.005906 p 0.031699 -0.031422 p 0.054908 -0.043628 p 0.095111 -0.016781 p 0.164751 -0.078594 p 0.285379 0.015562 p 0.494330 -0.030830 p 0.856273 0.006185 p 1.483225 -0.008621 1 p 0.070662 1.000000 1 p 0.115823 1.000000 1 p 0.207505 1.000000 1 d 0.029817 1.000000 1 d 0.089353 1.000000 1 d 0.214990 1.000000 1 f 0.099930 1.000000 1 f 0.240323 1.000000 1 g 0.199570 1.000000 '); INSERT INTO "data_tab" VALUES(5,'Li','Element Symbol: Li Basis-namev5z: v5z HF-Energy: -0.196315 CCSD(T)-Energy: -0.196315 9 s 0.010125 0.007841 s 0.023437 0.258118 s 0.054251 0.423307 s 0.125581 0.167825 s 0.290697 -0.068332 s 0.672909 -0.119269 s 1.557659 0.007736 s 3.605689 0.003630 s 8.346494 -0.000646 1 s 0.025010 1.000000 1 s 0.104917 1.000000 1 s 0.670681 1.000000 1 s 1.004881 1.000000 9 p 0.018300 -0.005906 p 0.031699 -0.031422 p 0.054908 -0.043628 p 0.095111 -0.016781 p 0.164751 -0.078594 p 0.285379 0.015562 p 0.494330 -0.030830 p 0.856273 0.006185 p 1.483225 -0.008621 1 p 0.081041 1.000000 1 p 0.138470 1.000000 1 p 0.404355 1.000000 1 p 0.806184 1.000000 1 d 0.065574 1.000000 1 d 0.835758 1.000000 1 d 0.161784 1.000000 1 d 0.986350 1.000000 1 f 0.152988 1.000000 1 f 0.420698 1.000000 1 f 0.856748 1.000000 1 g 0.254479 1.000000 1 g 0.457496 1.000000'); INSERT INTO "data_tab" VALUES(2,'Be','Element Symbol: Be Basis-namevdz: vdz HF-Energy: -0.956838 CCSD(T)-Energy: -1.000525 9 s 0.030068 0.025105 s 0.054002 0.178890 s 0.096986 0.263939 s 0.174186 0.435946 s 0.312836 -0.008188 s 0.561850 0.049509 s 1.009077 -0.114576 s 1.812290 -0.067207 s 3.254852 0.017250 1 s 0.239392 1.000000 9 p 0.015064 0.735052 p 0.028584 -0.476214 p 0.054236 0.564806 p 0.102911 -0.108575 p 0.195269 0.233862 p 0.370513 -0.009003 p 0.703030 0.067510 p 1.333967 -0.002868 p 2.531139 0.017869 1 p 0.222969 1.000000 1 d 0.217340 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Be','Element Symbol: Be Basis-namevtz: vtz HF-Energy: -0.961729 CCSD(T)-Energy: -1.008436 9 s 0.030068 0.025105 s 0.054002 0.178890 s 0.096986 0.263939 s 0.174186 0.435946 s 0.312836 -0.008188 s 0.561850 0.049509 s 1.009077 -0.114576 s 1.812290 -0.067207 s 3.254852 0.017250 1 s 0.060913 1.000000 1 s 0.357735 1.000000 9 p 0.015064 0.735052 p 0.028584 -0.476214 p 0.054236 0.564806 p 0.102911 -0.108575 p 0.195269 0.233862 p 0.370513 -0.009003 p 0.703030 0.067510 p 1.333967 -0.002868 p 2.531139 0.017869 1 p 0.728274 1.000000 1 p 0.165173 1.000000 1 d 0.113241 1.000000 1 d 0.305198 1.000000 1 f 0.272841 1.000000 '); INSERT INTO "data_tab" VALUES(4,'Be','Element Symbol: Be Basis-namevqz: vqz HF-Energy: -0.961844 CCSD(T)-Energy: -1.009630 9 s 0.030068 0.025105 s 0.054002 0.178890 s 0.096986 0.263939 s 0.174186 0.435946 s 0.312836 -0.008188 s 0.561850 0.049509 s 1.009077 -0.114576 s 1.812290 -0.067207 s 3.254852 0.017250 1 s 0.012287 1.000000 1 s 0.175341 1.000000 1 s 1.244398 1.000000 9 p 0.015064 0.735052 p 0.028584 -0.476214 p 0.054236 0.564806 p 0.102911 -0.108575 p 0.195269 0.233862 p 0.370513 -0.009003 p 0.703030 0.067510 p 1.333967 -0.002868 p 2.531139 0.017869 1 p 0.317061 1.000000 1 p 1.585739 1.000000 1 p 0.108346 1.000000 1 d 0.125228 1.000000 1 d 0.801065 1.000000 1 d 0.301656 1.000000 1 f 0.153439 1.000000 1 f 0.377536 1.000000 1 g 0.338801 1.000000 '); INSERT INTO "data_tab" VALUES(5,'Be','Element Symbol: Be Basis-namev5z: v5z HF-Energy: -0.961942 CCSD(T)-Energy: -1.009970 9 s 0.030068 0.025105 s 0.054002 0.178890 s 0.096986 0.263939 s 0.174186 0.435946 s 0.312836 -0.008188 s 0.561850 0.049509 s 1.009077 -0.114576 s 1.812290 -0.067207 s 3.254852 0.017250 1 s 0.012778 1.000000 1 s 0.108807 1.000000 1 s 0.216157 1.000000 1 s 1.207279 1.000000 9 p 0.015064 0.735052 p 0.028584 -0.476214 p 0.054236 0.564806 p 0.102911 -0.108575 p 0.195269 0.233862 p 0.370513 -0.009003 p 0.703030 0.067510 p 1.333967 -0.002868 p 2.531139 0.017869 1 p 0.072561 1.000000 1 p 0.501715 1.000000 1 p 0.184471 1.000000 1 p 2.128672 1.000000 1 d 0.090175 1.000000 1 d 0.743653 1.000000 1 d 0.238494 1.000000 1 d 0.933001 1.000000 1 f 0.129140 1.000000 1 f 0.299150 1.000000 1 f 0.739023 1.000000 1 g 0.316080 1.000000 1 g 0.863442 1.000000 1 h 0.409080 1.000000'); INSERT INTO "data_tab" VALUES(2,'B','Element Symbol: B Basis-namevdz: vdz HF-Energy: -2.543713 CCSD(T)-Energy: -2.608984 9 s 0.040569 0.032031 s 0.081044 0.243317 s 0.161898 0.434636 s 0.323418 0.329581 s 0.646080 0.111875 s 1.290648 -0.078699 s 2.578276 -0.098781 s 5.150520 0.016164 s 10.288990 -0.000016 1 s 0.082513 1.000000 9 p 0.029207 0.019909 p 0.058408 0.141775 p 0.116803 0.294463 p 0.233582 0.309028 p 0.467115 0.236378 p 0.934132 0.131317 p 1.868068 0.066454 p 3.735743 0.021248 p 7.470701 0.002837 1 p 0.086803 1.000000 1 d 0.349879 1.000000 '); INSERT INTO "data_tab" VALUES(3,'B','Element Symbol: B Basis-namevtz: vtz HF-Energy: -2.543736 CCSD(T)-Energy: -2.617159 9 s 0.040569 0.032031 s 0.081044 0.243317 s 0.161898 0.434636 s 0.323418 0.329581 s 0.646080 0.111875 s 1.290648 -0.078699 s 2.578276 -0.098781 s 5.150520 0.016164 s 10.288990 -0.000016 1 s 0.626026 1.000000 1 s 0.092094 1.000000 9 p 0.029207 0.019909 p 0.058408 0.141775 p 0.116803 0.294463 p 0.233582 0.309028 p 0.467115 0.236378 p 0.934132 0.131317 p 1.868068 0.066454 p 3.735743 0.021248 p 7.470701 0.002837 1 p 0.082056 1.000000 1 p 0.235016 1.000000 1 d 0.207316 1.000000 1 d 0.699153 1.000000 1 f 0.478872 1.000000 '); INSERT INTO "data_tab" VALUES(4,'B','Element Symbol: B Basis-namevqz: vqz HF-Energy: -2.543755 CCSD(T)-Energy: -2.618972 9 s 0.040569 0.032031 s 0.081044 0.243317 s 0.161898 0.434636 s 0.323418 0.329581 s 0.646080 0.111875 s 1.290648 -0.078699 s 2.578276 -0.098781 s 5.150520 0.016164 s 10.288990 -0.000016 1 s 0.082968 1.000000 1 s 0.305133 1.000000 1 s 0.422217 1.000000 9 p 0.029207 0.019909 p 0.058408 0.141775 p 0.116803 0.294463 p 0.233582 0.309028 p 0.467115 0.236378 p 0.934132 0.131317 p 1.868068 0.066454 p 3.735743 0.021248 p 7.470701 0.002837 1 p 0.066445 1.000000 1 p 0.196614 1.000000 1 p 0.447031 1.000000 1 d 0.149100 1.000000 1 d 0.410733 1.000000 1 d 1.142614 1.000000 1 f 0.315902 1.000000 1 f 0.870011 1.000000 1 g 0.710746 1.000000 '); INSERT INTO "data_tab" VALUES(5,'B','Element Symbol: B Basis-namev5z: v5z HF-Energy: -2.543756 CCSD(T)-Energy: -2.619409 9 s 0.040569 0.032031 s 0.081044 0.243317 s 0.161898 0.434636 s 0.323418 0.329581 s 0.646080 0.111875 s 1.290648 -0.078699 s 2.578276 -0.098781 s 5.150520 0.016164 s 10.288990 -0.000016 1 s 0.070664 1.000000 1 s 0.170896 1.000000 1 s 0.375720 1.000000 1 s 0.614105 1.000000 9 p 0.029207 0.019909 p 0.058408 0.141775 p 0.116803 0.294463 p 0.233582 0.309028 p 0.467115 0.236378 p 0.934132 0.131317 p 1.868068 0.066454 p 3.735743 0.021248 p 7.470701 0.002837 1 p 0.057917 1.000000 1 p 0.143772 1.000000 1 p 0.436327 1.000000 1 p 0.566611 1.000000 1 d 0.134838 1.000000 1 d 0.380163 1.000000 1 d 0.808233 1.000000 1 d 1.022256 1.000000 1 f 0.272717 1.000000 1 f 0.799174 1.000000 1 f 1.002171 1.000000 1 g 0.486131 1.000000 1 g 0.824366 1.000000 1 h 0.632779 1.000000'); INSERT INTO "data_tab" VALUES(2,'C','Element Symbol: C Basis-namevdz: vdz HF-Energy: -5.328990 CCSD(T)-Energy: -5.409230 9 s 0.051344 0.013991 s 0.102619 0.169852 s 0.205100 0.397529 s 0.409924 0.380369 s 0.819297 0.180113 s 1.637494 -0.033512 s 3.272791 -0.121499 s 6.541187 0.015176 s 13.073594 -0.000705 1 s 0.127852 1.000000 9 p 0.029281 0.001787 p 0.058547 0.050426 p 0.117063 0.191634 p 0.234064 0.302667 p 0.468003 0.289868 p 0.935757 0.210979 p 1.871016 0.112024 p 3.741035 0.054425 p 7.480076 0.021931 1 p 0.149161 1.000000 1 d 0.561161 1.000000 '); INSERT INTO "data_tab" VALUES(3,'C','Element Symbol: C Basis-namevtz: vtz HF-Energy: -5.329011 CCSD(T)-Energy: -5.427351 9 s 0.051344 0.013991 s 0.102619 0.169852 s 0.205100 0.397529 s 0.409924 0.380369 s 0.819297 0.180113 s 1.637494 -0.033512 s 3.272791 -0.121499 s 6.541187 0.015176 s 13.073594 -0.000705 1 s 0.921552 1.000000 1 s 0.132800 1.000000 9 p 0.029281 0.001787 p 0.058547 0.050426 p 0.117063 0.191634 p 0.234064 0.302667 p 0.468003 0.289868 p 0.935757 0.210979 p 1.871016 0.112024 p 3.741035 0.054425 p 7.480076 0.021931 1 p 0.126772 1.000000 1 p 0.376742 1.000000 1 d 0.329486 1.000000 1 d 1.141611 1.000000 1 f 0.773485 1.000000 '); INSERT INTO "data_tab" VALUES(4,'C','Element Symbol: C Basis-namevqz: vqz HF-Energy: -5.329029 CCSD(T)-Energy: -5.431486 9 s 0.051344 0.013991 s 0.102619 0.169852 s 0.205100 0.397529 s 0.409924 0.380369 s 0.819297 0.180113 s 1.637494 -0.033512 s 3.272791 -0.121499 s 6.541187 0.015176 s 13.073594 -0.000705 1 s 0.109576 1.000000 1 s 0.846879 1.000000 1 s 0.269659 1.000000 9 p 0.029281 0.001787 p 0.058547 0.050426 p 0.117063 0.191634 p 0.234064 0.302667 p 0.468003 0.289868 p 0.935757 0.210979 p 1.871016 0.112024 p 3.741035 0.054425 p 7.480076 0.021931 1 p 0.105389 1.000000 1 p 0.313254 1.000000 1 p 0.804681 1.000000 1 d 0.240171 1.000000 1 d 0.684884 1.000000 1 d 2.013760 1.000000 1 f 0.457302 1.000000 1 f 1.324930 1.000000 1 g 1.034180 1.000000 '); INSERT INTO "data_tab" VALUES(5,'C','Element Symbol: C Basis-namev5z: v5z HF-Energy: -5.329030 CCSD(T)-Energy: -5.432494 9 s 0.051344 0.013991 s 0.102619 0.169852 s 0.205100 0.397529 s 0.409924 0.380369 s 0.819297 0.180113 s 1.637494 -0.033512 s 3.272791 -0.121499 s 6.541187 0.015176 s 13.073594 -0.000705 1 s 0.098302 1.000000 1 s 0.232034 1.000000 1 s 0.744448 1.000000 1 s 1.009914 1.000000 9 p 0.029281 0.001787 p 0.058547 0.050426 p 0.117063 0.191634 p 0.234064 0.302667 p 0.468003 0.289868 p 0.935757 0.210979 p 1.871016 0.112024 p 3.741035 0.054425 p 7.480076 0.021931 1 p 0.084047 1.000000 1 p 0.216618 1.000000 1 p 0.576869 1.000000 1 p 1.006252 1.000000 1 d 0.206619 1.000000 1 d 0.606933 1.000000 1 d 1.001526 1.000000 1 d 1.504882 1.000000 1 f 0.400573 1.000000 1 f 1.099564 1.000000 1 f 1.501091 1.000000 1 g 0.797648 1.000000 1 g 1.401343 1.000000 1 h 1.001703 1.000000'); INSERT INTO "data_tab" VALUES(2,'N','Element Symbol: N Basis-namevdz: vdz HF-Energy: -9.668376 CCSD(T)-Energy: -9.760290 9 s 0.098869 0.067266 s 0.211443 0.334290 s 0.452197 0.454257 s 0.967080 0.267861 s 2.068221 0.000248 s 4.423150 -0.132606 s 9.459462 0.014437 s 20.230246 0.000359 s 43.264919 -0.000094 1 s 0.175123 1.000000 9 p 0.073234 0.035758 p 0.145867 0.153945 p 0.290535 0.277656 p 0.578683 0.297676 p 1.152612 0.234403 p 2.295756 0.140321 p 4.572652 0.067219 p 9.107739 0.031594 p 18.140657 0.003301 1 p 0.223042 1.000000 1 d 0.832058 1.000000 '); INSERT INTO "data_tab" VALUES(3,'N','Element Symbol: N Basis-namevtz: vtz HF-Energy: -9.668376 CCSD(T)-Energy: -9.790402 9 s 0.098869 0.067266 s 0.211443 0.334290 s 0.452197 0.454257 s 0.967080 0.267861 s 2.068221 0.000248 s 4.423150 -0.132606 s 9.459462 0.014437 s 20.230246 0.000359 s 43.264919 -0.000094 1 s 1.202183 1.000000 1 s 0.163243 1.000000 9 p 0.073234 0.035758 p 0.145867 0.153945 p 0.290535 0.277656 p 0.578683 0.297676 p 1.152612 0.234403 p 2.295756 0.140321 p 4.572652 0.067219 p 9.107739 0.031594 p 18.140657 0.003301 1 p 0.170104 1.000000 1 p 0.517547 1.000000 1 d 0.483567 1.000000 1 d 1.712416 1.000000 1 f 1.093097 1.000000 '); INSERT INTO "data_tab" VALUES(4,'N','Element Symbol: N Basis-namevqz: vqz HF-Energy: -9.668376 CCSD(T)-Energy: -9.797800 9 s 0.098869 0.067266 s 0.211443 0.334290 s 0.452197 0.454257 s 0.967080 0.267861 s 2.068221 0.000248 s 4.423150 -0.132606 s 9.459462 0.014437 s 20.230246 0.000359 s 43.264919 -0.000094 1 s 0.135764 1.000000 1 s 0.310826 1.000000 1 s 1.625001 1.000000 9 p 0.073234 0.035758 p 0.145867 0.153945 p 0.290535 0.277656 p 0.578683 0.297676 p 1.152612 0.234403 p 2.295756 0.140321 p 4.572652 0.067219 p 9.107739 0.031594 p 18.140657 0.003301 1 p 0.140736 1.000000 1 p 0.413103 1.000000 1 p 1.020750 1.000000 1 d 0.346233 1.000000 1 d 1.009895 1.000000 1 d 3.028459 1.000000 1 f 0.691129 1.000000 1 f 2.024747 1.000000 1 g 1.357512 1.000000 '); INSERT INTO "data_tab" VALUES(5,'N','Element Symbol: N Basis-namev5z: v5z HF-Energy: -9.668376 CCSD(T)-Energy: -9.799731 9 s 0.098869 0.067266 s 0.211443 0.334290 s 0.452197 0.454257 s 0.967080 0.267861 s 2.068221 0.000248 s 4.423150 -0.132606 s 9.459462 0.014437 s 20.230246 0.000359 s 43.264919 -0.000094 1 s 0.115320 1.000000 1 s 0.286632 1.000000 1 s 0.702011 1.000000 1 s 1.532221 1.000000 9 p 0.073234 0.035758 p 0.145867 0.153945 p 0.290535 0.277656 p 0.578683 0.297676 p 1.152612 0.234403 p 2.295756 0.140321 p 4.572652 0.067219 p 9.107739 0.031594 p 18.140657 0.003301 1 p 0.120601 1.000000 1 p 0.322697 1.000000 1 p 0.978538 1.000000 1 p 1.272759 1.000000 1 d 0.305579 1.000000 1 d 0.891436 1.000000 1 d 1.542532 1.000000 1 d 2.798122 1.000000 1 f 0.587676 1.000000 1 f 1.592967 1.000000 1 f 2.443045 1.000000 1 g 1.038637 1.000000 1 g 2.842018 1.000000 1 h 2.272542 1.000000'); INSERT INTO "data_tab" VALUES(2,'O','Element Symbol: O Basis-namevdz: vdz HF-Energy: -15.705942 CCSD(T)-Energy: -15.829790 9 s 0.125346 0.055741 s 0.268022 0.304848 s 0.573098 0.453752 s 1.225429 0.295926 s 2.620277 0.019567 s 5.602818 -0.128627 s 11.980245 0.012024 s 25.616801 0.000407 s 54.775216 -0.000076 1 s 0.258551 1.000000 9 p 0.083598 0.044958 p 0.167017 0.150175 p 0.333673 0.255999 p 0.666627 0.281879 p 1.331816 0.242835 p 2.660761 0.161134 p 5.315785 0.082308 p 10.620108 0.039899 p 21.217318 0.004679 1 p 0.267865 1.000000 1 d 1.232753 1.000000 '); INSERT INTO "data_tab" VALUES(3,'O','Element Symbol: O Basis-namevtz: vtz HF-Energy: -15.708001 CCSD(T)-Energy: -15.882045 9 s 0.125346 0.055741 s 0.268022 0.304848 s 0.573098 0.453752 s 1.225429 0.295926 s 2.620277 0.019567 s 5.602818 -0.128627 s 11.980245 0.012024 s 25.616801 0.000407 s 54.775216 -0.000076 1 s 1.686633 1.000000 1 s 0.237997 1.000000 9 p 0.083598 0.044958 p 0.167017 0.150175 p 0.333673 0.255999 p 0.666627 0.281879 p 1.331816 0.242835 p 2.660761 0.161134 p 5.315785 0.082308 p 10.620108 0.039899 p 21.217318 0.004679 1 p 0.184696 1.000000 1 p 0.600621 1.000000 1 d 0.669340 1.000000 1 d 2.404278 1.000000 1 f 1.423104 1.000000 '); INSERT INTO "data_tab" VALUES(4,'O','Element Symbol: O Basis-namevqz: vqz HF-Energy: -15.708382 CCSD(T)-Energy: -15.897021 9 s 0.125346 0.055741 s 0.268022 0.304848 s 0.573098 0.453752 s 1.225429 0.295926 s 2.620277 0.019567 s 5.602818 -0.128627 s 11.980245 0.012024 s 25.616801 0.000407 s 54.775216 -0.000076 1 s 0.224380 1.000000 1 s 0.843157 1.000000 1 s 1.351771 1.000000 9 p 0.083598 0.044958 p 0.167017 0.150175 p 0.333673 0.255999 p 0.666627 0.281879 p 1.331816 0.242835 p 2.660761 0.161134 p 5.315785 0.082308 p 10.620108 0.039899 p 21.217318 0.004679 1 p 0.148562 1.000000 1 p 0.452364 1.000000 1 p 1.106737 1.000000 1 d 0.455711 1.000000 1 d 1.344331 1.000000 1 d 4.008867 1.000000 1 f 0.876289 1.000000 1 f 2.763115 1.000000 1 g 1.759081 1.000000 '); INSERT INTO "data_tab" VALUES(5,'O','Element Symbol: O Basis-namev5z: v5z HF-Energy: -15.708447 CCSD(T)-Energy: -15.901660 9 s 0.125346 0.055741 s 0.268022 0.304848 s 0.573098 0.453752 s 1.225429 0.295926 s 2.620277 0.019567 s 5.602818 -0.128627 s 11.980245 0.012024 s 25.616801 0.000407 s 54.775216 -0.000076 1 s 0.160664 1.000000 1 s 0.384526 1.000000 1 s 0.935157 1.000000 1 s 1.937532 1.000000 9 p 0.083598 0.044958 p 0.167017 0.150175 p 0.333673 0.255999 p 0.666627 0.281879 p 1.331816 0.242835 p 2.660761 0.161134 p 5.315785 0.082308 p 10.620108 0.039899 p 21.217318 0.004679 1 p 0.130580 1.000000 1 p 0.372674 1.000000 1 p 1.178227 1.000000 1 p 1.589967 1.000000 1 d 0.401152 1.000000 1 d 1.174596 1.000000 1 d 2.823972 1.000000 1 d 4.292433 1.000000 1 f 0.708666 1.000000 1 f 2.006788 1.000000 1 f 3.223721 1.000000 1 g 1.207657 1.000000 1 g 3.584495 1.000000 1 h 2.615818 1.000000'); INSERT INTO "data_tab" VALUES(2,'F','Element Symbol: F Basis-namevdz: vdz HF-Energy: -23.937019 CCSD(T)-Energy: -24.092506 9 s 0.172723 0.070240 s 0.364875 0.311088 s 0.770795 0.444675 s 1.628295 0.287011 s 3.439757 0.018759 s 7.266451 -0.128608 s 15.350300 0.009104 s 32.427348 0.000810 s 68.502433 -0.000133 1 s 0.344569 1.000000 9 p 0.101001 0.035321 p 0.204414 0.136924 p 0.413707 0.249353 p 0.837289 0.286620 p 1.694565 0.254541 p 3.429580 0.169572 p 6.941026 0.088542 p 14.047737 0.039843 p 28.430799 0.003378 1 p 0.364831 1.000000 1 d 1.722479 1.000000 '); INSERT INTO "data_tab" VALUES(3,'F','Element Symbol: F Basis-namevtz: vtz HF-Energy: -23.938224 CCSD(T)-Energy: -24.163204 9 s 0.172723 0.070240 s 0.364875 0.311088 s 0.770795 0.444675 s 1.628295 0.287011 s 3.439757 0.018759 s 7.266451 -0.128608 s 15.350300 0.009104 s 32.427348 0.000810 s 68.502433 -0.000133 1 s 2.289795 1.000000 1 s 0.327712 1.000000 9 p 0.101001 0.035321 p 0.204414 0.136924 p 0.413707 0.249353 p 0.837289 0.286620 p 1.694565 0.254541 p 3.429580 0.169572 p 6.941026 0.088542 p 14.047737 0.039843 p 28.430799 0.003378 1 p 0.243660 1.000000 1 p 0.804181 1.000000 1 d 0.900763 1.000000 1 d 3.297425 1.000000 1 f 1.859274 1.000000 '); INSERT INTO "data_tab" VALUES(4,'F','Element Symbol: F Basis-namevqz: vqz HF-Energy: -23.938443 CCSD(T)-Energy: -24.185741 9 s 0.172723 0.070240 s 0.364875 0.311088 s 0.770795 0.444675 s 1.628295 0.287011 s 3.439757 0.018759 s 7.266451 -0.128608 s 15.350300 0.009104 s 32.427348 0.000810 s 68.502433 -0.000133 1 s 0.294345 1.000000 1 s 1.048012 1.000000 1 s 1.705653 1.000000 9 p 0.101001 0.035321 p 0.204414 0.136924 p 0.413707 0.249353 p 0.837289 0.286620 p 1.694565 0.254541 p 3.429580 0.169572 p 6.941026 0.088542 p 14.047737 0.039843 p 28.430799 0.003378 1 p 0.205805 1.000000 1 p 0.647240 1.000000 1 p 1.650688 1.000000 1 d 0.587354 1.000000 1 d 1.724392 1.000000 1 d 4.998085 1.000000 1 f 1.178147 1.000000 1 f 3.694285 1.000000 1 g 2.406583 1.000000 '); INSERT INTO "data_tab" VALUES(5,'F','Element Symbol: F Basis-namev5z: v5z HF-Energy: -23.938492 CCSD(T)-Energy: -24.192900 9 s 0.172723 0.070240 s 0.364875 0.311088 s 0.770795 0.444675 s 1.628295 0.287011 s 3.439757 0.018759 s 7.266451 -0.128608 s 15.350300 0.009104 s 32.427348 0.000810 s 68.502433 -0.000133 1 s 0.191146 1.000000 1 s 0.459697 1.000000 1 s 1.250265 1.000000 1 s 2.542428 1.000000 9 p 0.101001 0.035321 p 0.204414 0.136924 p 0.413707 0.249353 p 0.837289 0.286620 p 1.694565 0.254541 p 3.429580 0.169572 p 6.941026 0.088542 p 14.047737 0.039843 p 28.430799 0.003378 1 p 0.170574 1.000000 1 p 0.489019 1.000000 1 p 1.505085 1.000000 1 p 2.018698 1.000000 1 d 0.517711 1.000000 1 d 1.523306 1.000000 1 d 3.901897 1.000000 1 d 5.603581 1.000000 1 f 0.981494 1.000000 1 f 2.950321 1.000000 1 f 4.297889 1.000000 1 g 1.638933 1.000000 1 g 4.619953 1.000000 1 h 2.963127 1.000000'); INSERT INTO "data_tab" VALUES(2,'Ne','Element Symbol: Ne Basis-namevdz: vdz HF-Energy: -34.709059 CCSD(T)-Energy: -34.900305 9 s 0.205835 0.057514 s 0.391384 0.215776 s 0.744196 0.374799 s 1.415048 0.326313 s 2.690638 0.166383 s 5.116103 -0.039149 s 9.727994 -0.085909 s 18.497256 0.006816 s 35.171534 0.000206 1 s 0.455383 1.000000 9 p 0.121772 0.029943 p 0.238248 0.114200 p 0.466136 0.219618 p 0.912002 0.268864 p 1.784344 0.256932 p 3.491095 0.191378 p 6.830378 0.112176 p 13.363732 0.063317 p 26.146332 0.008057 1 p 0.472224 1.000000 1 d 2.371533 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Ne','Element Symbol: Ne Basis-namevtz: vtz HF-Energy: -34.709059 CCSD(T)-Energy: -34.976232 9 s 0.205835 0.057514 s 0.391384 0.215776 s 0.744196 0.374799 s 1.415048 0.326313 s 2.690638 0.166383 s 5.116103 -0.039149 s 9.727994 -0.085909 s 18.497256 0.006816 s 35.171534 0.000206 1 s 0.317767 1.000000 1 s 0.534557 1.000000 9 p 0.121772 0.029943 p 0.238248 0.114200 p 0.466136 0.219618 p 0.912002 0.268864 p 1.784344 0.256932 p 3.491095 0.191378 p 6.830378 0.112176 p 13.363732 0.063317 p 26.146332 0.008057 1 p 0.294665 1.000000 1 p 0.962126 1.000000 1 d 1.134063 1.000000 1 d 4.161437 1.000000 1 f 2.556751 1.000000 '); INSERT INTO "data_tab" VALUES(4,'Ne','Element Symbol: Ne Basis-namevqz: vqz HF-Energy: -34.709059 CCSD(T)-Energy: -35.017566 9 s 0.205835 0.057514 s 0.391384 0.215776 s 0.744196 0.374799 s 1.415048 0.326313 s 2.690638 0.166383 s 5.116103 -0.039149 s 9.727994 -0.085909 s 18.497256 0.006816 s 35.171534 0.000206 1 s 0.399186 1.000000 1 s 1.658402 1.000000 1 s 2.261159 1.000000 9 p 0.121772 0.029943 p 0.238248 0.114200 p 0.466136 0.219618 p 0.912002 0.268864 p 1.784344 0.256932 p 3.491095 0.191378 p 6.830378 0.112176 p 13.363732 0.063317 p 26.146332 0.008057 1 p 0.245215 1.000000 1 p 0.757342 1.000000 1 p 1.938376 1.000000 1 d 0.738131 1.000000 1 d 2.188751 1.000000 1 d 6.170224 1.000000 1 f 1.589986 1.000000 1 f 4.849402 1.000000 1 g 3.228793 1.000000 '); INSERT INTO "data_tab" VALUES(5,'Ne','Element Symbol: Ne Basis-namev5z: v5z HF-Energy: -34.709059 CCSD(T)-Energy: -35.027534 9 s 0.205835 0.057514 s 0.391384 0.215776 s 0.744196 0.374799 s 1.415048 0.326313 s 2.690638 0.166383 s 5.116103 -0.039149 s 9.727994 -0.085909 s 18.497256 0.006816 s 35.171534 0.000206 1 s 0.318678 1.000000 1 s 0.830178 1.000000 1 s 1.591904 1.000000 1 s 2.744999 1.000000 9 p 0.121772 0.029943 p 0.238248 0.114200 p 0.466136 0.219618 p 0.912002 0.268864 p 1.784344 0.256932 p 3.491095 0.191378 p 6.830378 0.112176 p 13.363732 0.063317 p 26.146332 0.008057 1 p 0.218226 1.000000 1 p 0.636921 1.000000 1 p 1.888191 1.000000 1 p 3.020108 1.000000 1 d 0.654924 1.000000 1 d 1.931502 1.000000 1 d 5.027566 1.000000 1 d 6.989700 1.000000 1 f 1.314297 1.000000 1 f 4.065928 1.000000 1 f 5.587487 1.000000 1 g 2.070925 1.000000 1 g 6.073107 1.000000 1 h 3.743118 1.000000'); INSERT INTO "data_tab" VALUES(2,'Na','Element Symbol: Na Basis-namevdz: vdz HF-Energy: -0.174227 CCSD(T)-Energy: -0.174227 9 s 0.013061 0.200118 s 0.030041 0.467652 s 0.069092 0.227738 s 0.158908 -0.061581 s 0.365481 -0.137533 s 0.840589 0.003323 s 1.933315 0.003741 s 4.446533 -0.001117 s 10.226816 0.000244 1 s 0.865135 1.000000 9 p 0.002593 -0.002840 p 0.006741 0.005340 p 0.017525 -0.025936 p 0.045563 -0.053466 p 0.118461 -0.053691 p 0.307987 0.014439 p 0.800738 0.006199 p 2.081847 -0.001026 p 5.412617 0.000168 1 p 0.106025 1.000000 1 d 0.050790 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Na','Element Symbol: Na Basis-namevtz: vtz HF-Energy: -0.181799 CCSD(T)-Energy: -0.181799 9 s 0.013061 0.200118 s 0.030041 0.467652 s 0.069092 0.227738 s 0.158908 -0.061581 s 0.365481 -0.137533 s 0.840589 0.003323 s 1.933315 0.003741 s 4.446533 -0.001117 s 10.226816 0.000244 1 s 0.067854 1.000000 1 s 0.550451 1.000000 9 p 0.002593 -0.002840 p 0.006741 0.005340 p 0.017525 -0.025936 p 0.045563 -0.053466 p 0.118461 -0.053691 p 0.307987 0.014439 p 0.800738 0.006199 p 2.081847 -0.001026 p 5.412617 0.000168 1 p 0.089406 1.000000 1 p 0.619273 1.000000 1 d 0.086920 1.000000 1 d 0.693014 1.000000 1 f 0.132402 1.000000 '); INSERT INTO "data_tab" VALUES(4,'Na','Element Symbol: Na Basis-namevqz: vqz HF-Energy: -0.181980 CCSD(T)-Energy: -0.181980 9 s 0.013061 0.200118 s 0.030041 0.467652 s 0.069092 0.227738 s 0.158908 -0.061581 s 0.365481 -0.137533 s 0.840589 0.003323 s 1.933315 0.003741 s 4.446533 -0.001117 s 10.226816 0.000244 1 s 0.064915 1.000000 1 s 1.134458 1.000000 1 s 0.771046 1.000000 9 p 0.002593 -0.002840 p 0.006741 0.005340 p 0.017525 -0.025936 p 0.045563 -0.053466 p 0.118461 -0.053691 p 0.307987 0.014439 p 0.800738 0.006199 p 2.081847 -0.001026 p 5.412617 0.000168 1 p 0.059662 1.000000 1 p 0.096714 1.000000 1 p 0.552976 1.000000 1 d 0.046917 1.000000 1 d 0.813868 1.000000 1 d 0.127780 1.000000 1 f 0.129992 1.000000 1 f 0.626429 1.000000 1 g 0.588778 1.000000 '); INSERT INTO "data_tab" VALUES(5,'Na','Element Symbol: Na Basis-namev5z: v5z HF-Energy: -0.182034 CCSD(T)-Energy: -0.182034 9 s 0.013061 0.200118 s 0.030041 0.467652 s 0.069092 0.227738 s 0.158908 -0.061581 s 0.365481 -0.137533 s 0.840589 0.003323 s 1.933315 0.003741 s 4.446533 -0.001117 s 10.226816 0.000244 1 s 0.063999 1.000000 1 s 0.414207 1.000000 1 s 0.848058 1.000000 1 s 1.097178 1.000000 9 p 0.002593 -0.002840 p 0.006741 0.005340 p 0.017525 -0.025936 p 0.045563 -0.053466 p 0.118461 -0.053691 p 0.307987 0.014439 p 0.800738 0.006199 p 2.081847 -0.001026 p 5.412617 0.000168 1 p 0.062027 1.000000 1 p 0.098643 1.000000 1 p 0.404379 1.000000 1 p 0.845826 1.000000 1 d 0.058125 1.000000 1 d 0.824577 1.000000 1 d 0.131674 1.000000 1 d 0.979694 1.000000 1 f 0.112793 1.000000 1 f 0.429471 1.000000 1 f 0.848460 1.000000 1 g 0.285680 1.000000 1 g 0.467702 1.000000'); INSERT INTO "data_tab" VALUES(2,'Mg','Element Symbol: Mg Basis-namevdz: vdz HF-Energy: -0.784324 CCSD(T)-Energy: -0.816857 9 s 0.030975 0.165290 s 0.062959 0.506272 s 0.127970 0.333197 s 0.260111 0.057482 s 0.528700 -0.137614 s 1.074630 -0.135378 s 2.184285 0.048310 s 4.439759 -0.005312 s 9.024217 0.000465 1 s 0.162370 1.000000 9 p 0.047055 1.502038 p 0.083253 -1.433944 p 0.147298 1.318987 p 0.260611 -0.741124 p 0.461094 0.436300 p 0.815803 -0.243798 p 1.443383 0.086774 p 2.553745 -0.028677 p 4.518286 0.006085 1 p 0.121683 1.000000 1 d 0.135526 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Mg','Element Symbol: Mg Basis-namevtz: vtz HF-Energy: -0.784579 CCSD(T)-Energy: -0.819095 9 s 0.030975 0.165290 s 0.062959 0.506272 s 0.127970 0.333197 s 0.260111 0.057482 s 0.528700 -0.137614 s 1.074630 -0.135378 s 2.184285 0.048310 s 4.439759 -0.005312 s 9.024217 0.000465 1 s 0.153453 1.000000 1 s 0.673960 1.000000 9 p 0.047055 1.502038 p 0.083253 -1.433944 p 0.147298 1.318987 p 0.260611 -0.741124 p 0.461094 0.436300 p 0.815803 -0.243798 p 1.443383 0.086774 p 2.553745 -0.028677 p 4.518286 0.006085 1 p 0.126917 1.000000 1 p 1.118965 1.000000 1 d 0.095734 1.000000 1 d 0.274572 1.000000 1 f 0.148519 1.000000 '); INSERT INTO "data_tab" VALUES(4,'Mg','Element Symbol: Mg Basis-namevqz: vqz HF-Energy: -0.784736 CCSD(T)-Energy: -0.819621 9 s 0.030975 0.165290 s 0.062959 0.506272 s 0.127970 0.333197 s 0.260111 0.057482 s 0.528700 -0.137614 s 1.074630 -0.135378 s 2.184285 0.048310 s 4.439759 -0.005312 s 9.024217 0.000465 1 s 0.023378 1.000000 1 s 0.188141 1.000000 1 s 0.616205 1.000000 9 p 0.047055 1.502038 p 0.083253 -1.433944 p 0.147298 1.318987 p 0.260611 -0.741124 p 0.461094 0.436300 p 0.815803 -0.243798 p 1.443383 0.086774 p 2.553745 -0.028677 p 4.518286 0.006085 1 p 0.089167 1.000000 1 p 0.209210 1.000000 1 p 0.846859 1.000000 1 d 0.095526 1.000000 1 d 0.734089 1.000000 1 d 0.233222 1.000000 1 f 0.127025 1.000000 1 f 0.304907 1.000000 1 g 0.192272 1.000000 '); INSERT INTO "data_tab" VALUES(5,'Mg','Element Symbol: Mg Basis-namev5z: v5z HF-Energy: -0.784736 CCSD(T)-Energy: -0.819696 9 s 0.030975 0.165290 s 0.062959 0.506272 s 0.127970 0.333197 s 0.260111 0.057482 s 0.528700 -0.137614 s 1.074630 -0.135378 s 2.184285 0.048310 s 4.439759 -0.005312 s 9.024217 0.000465 1 s 0.023503 1.000000 1 s 0.061201 1.000000 1 s 0.764885 1.000000 1 s 1.054291 1.000000 9 p 0.047055 1.502038 p 0.083253 -1.433944 p 0.147298 1.318987 p 0.260611 -0.741124 p 0.461094 0.436300 p 0.815803 -0.243798 p 1.443383 0.086774 p 2.553745 -0.028677 p 4.518286 0.006085 1 p 0.082386 1.000000 1 p 0.177931 1.000000 1 p 0.385451 1.000000 1 p 0.833239 1.000000 1 d 0.102058 1.000000 1 d 0.815528 1.000000 1 d 0.222855 1.000000 1 d 0.973775 1.000000 1 f 0.141691 1.000000 1 f 0.425441 1.000000 1 f 0.847636 1.000000 1 g 0.171110 1.000000 1 g 0.438459 1.000000 1 h 0.360937 1.000000'); INSERT INTO "data_tab" VALUES(2,'Al','Element Symbol: Al Basis-namevdz: vdz HF-Energy: -1.878786 CCSD(T)-Energy: -1.929382 9 s 0.045518 0.206193 s 0.100308 0.559887 s 0.221051 0.407852 s 0.487132 -0.041098 s 1.073500 -0.238652 s 2.365686 0.038132 s 5.213294 -0.003935 s 11.488606 0.000470 s 25.317597 -0.000014 1 s 0.044024 1.000000 9 p 0.014848 0.009932 p 0.030967 0.160212 p 0.064586 0.389171 p 0.134700 0.373235 p 0.280932 0.195800 p 0.585913 0.022947 p 1.221985 -0.053293 p 2.548578 0.004846 p 5.315330 -0.000726 1 p 0.206631 1.000000 1 d 0.193079 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Al','Element Symbol: Al Basis-namevtz: vtz HF-Energy: -1.878829 CCSD(T)-Energy: -1.936503 9 s 0.045518 0.206193 s 0.100308 0.559887 s 0.221051 0.407852 s 0.487132 -0.041098 s 1.073500 -0.238652 s 2.365686 0.038132 s 5.213294 -0.003935 s 11.488606 0.000470 s 25.317597 -0.000014 1 s 0.064303 1.000000 1 s 0.371009 1.000000 9 p 0.014848 0.009932 p 0.030967 0.160212 p 0.064586 0.389171 p 0.134700 0.373235 p 0.280932 0.195800 p 0.585913 0.022947 p 1.221985 -0.053293 p 2.548578 0.004846 p 5.315330 -0.000726 1 p 0.035607 1.000000 1 p 0.090801 1.000000 1 d 0.115540 1.000000 1 d 0.359082 1.000000 1 f 0.254838 1.000000 '); INSERT INTO "data_tab" VALUES(4,'Al','Element Symbol: Al Basis-namevqz: vqz HF-Energy: -1.878847 CCSD(T)-Energy: -1.937937 9 s 0.045518 0.206193 s 0.100308 0.559887 s 0.221051 0.407852 s 0.487132 -0.041098 s 1.073500 -0.238652 s 2.365686 0.038132 s 5.213294 -0.003935 s 11.488606 0.000470 s 25.317597 -0.000014 1 s 0.058688 1.000000 1 s 0.150215 1.000000 1 s 0.324193 1.000000 9 p 0.014848 0.009932 p 0.030967 0.160212 p 0.064586 0.389171 p 0.134700 0.373235 p 0.280932 0.195800 p 0.585913 0.022947 p 1.221985 -0.053293 p 2.548578 0.004846 p 5.315330 -0.000726 1 p 0.034866 1.000000 1 p 0.403929 1.000000 1 p 0.084117 1.000000 1 d 0.092392 1.000000 1 d 0.245212 1.000000 1 d 0.726318 1.000000 1 f 0.160909 1.000000 1 f 0.409285 1.000000 1 g 0.352027 1.000000 '); INSERT INTO "data_tab" VALUES(5,'Al','Element Symbol: Al Basis-namev5z: v5z HF-Energy: -1.878849 CCSD(T)-Energy: -1.938298 9 s 0.045518 0.206193 s 0.100308 0.559887 s 0.221051 0.407852 s 0.487132 -0.041098 s 1.073500 -0.238652 s 2.365686 0.038132 s 5.213294 -0.003935 s 11.488606 0.000470 s 25.317597 -0.000014 1 s 0.056415 1.000000 1 s 0.155063 1.000000 1 s 0.332041 1.000000 1 s 0.725343 1.000000 9 p 0.014848 0.009932 p 0.030967 0.160212 p 0.064586 0.389171 p 0.134700 0.373235 p 0.280932 0.195800 p 0.585913 0.022947 p 1.221985 -0.053293 p 2.548578 0.004846 p 5.315330 -0.000726 1 p 0.033949 1.000000 1 p 0.083154 1.000000 1 p 0.251360 1.000000 1 p 0.314422 1.000000 1 d 0.088652 1.000000 1 d 0.241216 1.000000 1 d 0.575129 1.000000 1 d 0.989127 1.000000 1 f 0.148598 1.000000 1 f 0.374850 1.000000 1 f 0.781006 1.000000 1 g 0.259548 1.000000 1 g 0.561381 1.000000 1 h 0.328731 1.000000'); INSERT INTO "data_tab" VALUES(2,'Si','Element Symbol: Si Basis-namevdz: vdz HF-Energy: -3.678618 CCSD(T)-Energy: -3.747344 9 s 0.059887 0.167492 s 0.130108 0.532550 s 0.282668 0.464290 s 0.614115 -0.002322 s 1.334205 -0.268234 s 2.898645 0.031921 s 6.297493 -0.000106 s 13.681707 -0.000145 s 29.724387 0.000067 1 s 0.059803 1.000000 9 p 0.036525 0.078761 p 0.076137 0.308331 p 0.158712 0.417773 p 0.330843 0.281676 p 0.689658 0.069876 p 1.437625 -0.056306 p 2.996797 0.000744 p 6.246966 -0.000259 p 13.022097 -0.000022 1 p 0.081570 1.000000 1 d 0.283626 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Si','Element Symbol: Si Basis-namevtz: vtz HF-Energy: -3.678653 CCSD(T)-Energy: -3.762543 9 s 0.059887 0.167492 s 0.130108 0.532550 s 0.282668 0.464290 s 0.614115 -0.002322 s 1.334205 -0.268234 s 2.898645 0.031921 s 6.297493 -0.000106 s 13.681707 -0.000145 s 29.724387 0.000067 1 s 0.090113 1.000000 1 s 0.507467 1.000000 9 p 0.036525 0.078761 p 0.076137 0.308331 p 0.158712 0.417773 p 0.330843 0.281676 p 0.689658 0.069876 p 1.437625 -0.056306 p 2.996797 0.000744 p 6.246966 -0.000259 p 13.022097 -0.000022 1 p 0.056148 1.000000 1 p 0.146758 1.000000 1 d 0.170395 1.000000 1 d 0.539756 1.000000 1 f 0.352999 1.000000 '); INSERT INTO "data_tab" VALUES(4,'Si','Element Symbol: Si Basis-namevqz: vqz HF-Energy: -3.678670 CCSD(T)-Energy: -3.765849 9 s 0.059887 0.167492 s 0.130108 0.532550 s 0.282668 0.464290 s 0.614115 -0.002322 s 1.334205 -0.268234 s 2.898645 0.031921 s 6.297493 -0.000106 s 13.681707 -0.000145 s 29.724387 0.000067 1 s 0.079900 1.000000 1 s 0.206024 1.000000 1 s 0.435017 1.000000 9 p 0.036525 0.078761 p 0.076137 0.308331 p 0.158712 0.417773 p 0.330843 0.281676 p 0.689658 0.069876 p 1.437625 -0.056306 p 2.996797 0.000744 p 6.246966 -0.000259 p 13.022097 -0.000022 1 p 0.054575 1.000000 1 p 0.599112 1.000000 1 p 0.134681 1.000000 1 d 0.133118 1.000000 1 d 0.350967 1.000000 1 d 1.063961 1.000000 1 f 0.211319 1.000000 1 f 0.535932 1.000000 1 g 0.465365 1.000000 '); INSERT INTO "data_tab" VALUES(5,'Si','Element Symbol: Si Basis-namev5z: v5z HF-Energy: -3.678671 CCSD(T)-Energy: -3.766704 9 s 0.059887 0.167492 s 0.130108 0.532550 s 0.282668 0.464290 s 0.614115 -0.002322 s 1.334205 -0.268234 s 2.898645 0.031921 s 6.297493 -0.000106 s 13.681707 -0.000145 s 29.724387 0.000067 1 s 0.075500 1.000000 1 s 0.196459 1.000000 1 s 0.424036 1.000000 1 s 0.920486 1.000000 9 p 0.036525 0.078761 p 0.076137 0.308331 p 0.158712 0.417773 p 0.330843 0.281676 p 0.689658 0.069876 p 1.437625 -0.056306 p 2.996797 0.000744 p 6.246966 -0.000259 p 13.022097 -0.000022 1 p 0.048136 1.000000 1 p 0.115813 1.000000 1 p 0.238594 1.000000 1 p 0.496918 1.000000 1 d 0.127945 1.000000 1 d 0.353096 1.000000 1 d 0.805426 1.000000 1 d 1.247695 1.000000 1 f 0.172876 1.000000 1 f 0.402208 1.000000 1 f 0.833081 1.000000 1 g 0.299885 1.000000 1 g 0.647054 1.000000 1 h 0.557542 1.000000'); INSERT INTO "data_tab" VALUES(2,'P','Element Symbol: P Basis-namevdz: vdz HF-Energy: -6.359075 CCSD(T)-Energy: -6.441694 9 s 0.074718 0.140225 s 0.160834 0.506746 s 0.346202 0.499893 s 0.745215 0.037301 s 1.604109 -0.284591 s 3.452917 0.024766 s 7.432561 0.001798 s 15.998924 -0.000314 s 34.438408 0.000088 1 s 0.077260 1.000000 9 p 0.050242 0.072095 p 0.102391 0.278735 p 0.208669 0.411034 p 0.425256 0.304724 p 0.866651 0.091727 p 1.766191 -0.057060 p 3.599410 -0.005103 p 7.335418 0.000328 p 14.949217 -0.000046 1 p 0.113433 1.000000 1 d 0.390944 1.000000 '); INSERT INTO "data_tab" VALUES(3,'P','Element Symbol: P Basis-namevtz: vtz HF-Energy: -6.359075 CCSD(T)-Energy: -6.468391 9 s 0.074718 0.140225 s 0.160834 0.506746 s 0.346202 0.499893 s 0.745215 0.037301 s 1.604109 -0.284591 s 3.452917 0.024766 s 7.432561 0.001798 s 15.998924 -0.000314 s 34.438408 0.000088 1 s 0.115288 1.000000 1 s 0.646066 1.000000 9 p 0.050242 0.072095 p 0.102391 0.278735 p 0.208669 0.411034 p 0.425256 0.304724 p 0.866651 0.091727 p 1.766191 -0.057060 p 3.599410 -0.005103 p 7.335418 0.000328 p 14.949217 -0.000046 1 p 0.076568 1.000000 1 p 0.200301 1.000000 1 d 0.234543 1.000000 1 d 0.753299 1.000000 1 f 0.468762 1.000000 '); INSERT INTO "data_tab" VALUES(4,'P','Element Symbol: P Basis-namevqz: vqz HF-Energy: -6.359075 CCSD(T)-Energy: -6.474649 9 s 0.074718 0.140225 s 0.160834 0.506746 s 0.346202 0.499893 s 0.745215 0.037301 s 1.604109 -0.284591 s 3.452917 0.024766 s 7.432561 0.001798 s 15.998924 -0.000314 s 34.438408 0.000088 1 s 0.098851 1.000000 1 s 0.255593 1.000000 1 s 0.546057 1.000000 9 p 0.050242 0.072095 p 0.102391 0.278735 p 0.208669 0.411034 p 0.425256 0.304724 p 0.866651 0.091727 p 1.766191 -0.057060 p 3.599410 -0.005103 p 7.335418 0.000328 p 14.949217 -0.000046 1 p 0.074522 1.000000 1 p 0.764539 1.000000 1 p 0.182211 1.000000 1 d 0.186505 1.000000 1 d 0.502400 1.000000 1 d 1.576445 1.000000 1 f 0.280702 1.000000 1 f 0.719161 1.000000 1 g 0.599144 1.000000 '); INSERT INTO "data_tab" VALUES(5,'P','Element Symbol: P Basis-namev5z: v5z HF-Energy: -6.359075 CCSD(T)-Energy: -6.476249 9 s 0.074718 0.140225 s 0.160834 0.506746 s 0.346202 0.499893 s 0.745215 0.037301 s 1.604109 -0.284591 s 3.452917 0.024766 s 7.432561 0.001798 s 15.998924 -0.000314 s 34.438408 0.000088 1 s 0.082092 1.000000 1 s 0.195525 1.000000 1 s 0.434767 1.000000 1 s 1.027573 1.000000 9 p 0.050242 0.072095 p 0.102391 0.278735 p 0.208669 0.411034 p 0.425256 0.304724 p 0.866651 0.091727 p 1.766191 -0.057060 p 3.599410 -0.005103 p 7.335418 0.000328 p 14.949217 -0.000046 1 p 0.074159 1.000000 1 p 0.189382 1.000000 1 p 0.470798 1.000000 1 p 0.815677 1.000000 1 d 0.167800 1.000000 1 d 0.457307 1.000000 1 d 1.021650 1.000000 1 d 1.598720 1.000000 1 f 0.214751 1.000000 1 f 0.482380 1.000000 1 f 0.984966 1.000000 1 g 0.406484 1.000000 1 g 0.924507 1.000000 1 h 0.831913 1.000000'); INSERT INTO "data_tab" VALUES(2,'S','Element Symbol: S Basis-namevdz: vdz HF-Energy: -9.955307 CCSD(T)-Energy: -10.063831 9 s 0.095120 0.140074 s 0.202385 0.490942 s 0.430611 0.515297 s 0.916203 0.050320 s 1.949388 -0.298908 s 4.147674 0.019827 s 8.824926 0.007266 s 18.776623 -0.001602 s 39.950656 0.000271 1 s 0.098454 1.000000 9 p 0.057087 0.081938 p 0.115901 0.251826 p 0.235305 0.376344 p 0.477723 0.320902 p 0.969889 0.143779 p 1.969099 -0.045543 p 3.997726 -0.017191 p 8.116307 0.002580 p 16.477979 -0.000222 1 p 0.128926 1.000000 1 d 0.514135 1.000000 '); INSERT INTO "data_tab" VALUES(3,'S','Element Symbol: S Basis-namevtz: vtz HF-Energy: -9.957145 CCSD(T)-Energy: -10.114756 9 s 0.095120 0.140074 s 0.202385 0.490942 s 0.430611 0.515297 s 0.916203 0.050320 s 1.949388 -0.298908 s 4.147674 0.019827 s 8.824926 0.007266 s 18.776623 -0.001602 s 39.950656 0.000271 1 s 0.146642 1.000000 1 s 0.792025 1.000000 9 p 0.057087 0.081938 p 0.115901 0.251826 p 0.235305 0.376344 p 0.477723 0.320902 p 0.969889 0.143779 p 1.969099 -0.045543 p 3.997726 -0.017191 p 8.116307 0.002580 p 16.477979 -0.000222 1 p 0.088694 1.000000 1 p 0.247967 1.000000 1 d 0.292889 1.000000 1 d 0.950659 1.000000 1 f 0.573218 1.000000 '); INSERT INTO "data_tab" VALUES(4,'S','Element Symbol: S Basis-namevqz: vqz HF-Energy: -9.957360 CCSD(T)-Energy: -10.127207 9 s 0.095120 0.140074 s 0.202385 0.490942 s 0.430611 0.515297 s 0.916203 0.050320 s 1.949388 -0.298908 s 4.147674 0.019827 s 8.824926 0.007266 s 18.776623 -0.001602 s 39.950656 0.000271 1 s 0.123759 1.000000 1 s 0.315587 1.000000 1 s 0.651905 1.000000 9 p 0.057087 0.081938 p 0.115901 0.251826 p 0.235305 0.376344 p 0.477723 0.320902 p 0.969889 0.143779 p 1.969099 -0.045543 p 3.997726 -0.017191 p 8.116307 0.002580 p 16.477979 -0.000222 1 p 0.078717 1.000000 1 p 0.202707 1.000000 1 p 0.301333 1.000000 1 d 0.215701 1.000000 1 d 0.560638 1.000000 1 d 1.588204 1.000000 1 f 0.356554 1.000000 1 f 0.961826 1.000000 1 g 0.694803 1.000000 '); INSERT INTO "data_tab" VALUES(5,'S','Element Symbol: S Basis-namev5z: v5z HF-Energy: -9.957418 CCSD(T)-Energy: -10.131970 9 s 0.095120 0.140074 s 0.202385 0.490942 s 0.430611 0.515297 s 0.916203 0.050320 s 1.949388 -0.298908 s 4.147674 0.019827 s 8.824926 0.007266 s 18.776623 -0.001602 s 39.950656 0.000271 1 s 0.113918 1.000000 1 s 0.282790 1.000000 1 s 0.626702 1.000000 1 s 1.338226 1.000000 9 p 0.057087 0.081938 p 0.115901 0.251826 p 0.235305 0.376344 p 0.477723 0.320902 p 0.969889 0.143779 p 1.969099 -0.045543 p 3.997726 -0.017191 p 8.116307 0.002580 p 16.477979 -0.000222 1 p 0.079101 1.000000 1 p 0.210632 1.000000 1 p 0.522537 1.000000 1 p 0.924454 1.000000 1 d 0.186546 1.000000 1 d 0.462328 1.000000 1 d 0.955579 1.000000 1 d 2.334308 1.000000 1 f 0.274343 1.000000 1 f 0.661568 1.000000 1 f 1.389533 1.000000 1 g 0.486698 1.000000 1 g 1.166495 1.000000 1 h 0.839494 1.000000'); INSERT INTO "data_tab" VALUES(2,'Cl','Element Symbol: Cl Basis-namevdz: vdz HF-Energy: -14.740423 CCSD(T)-Energy: -14.874246 9 s 0.119944 0.148917 s 0.257348 0.503616 s 0.552157 0.523995 s 1.184691 0.013612 s 2.541836 -0.328846 s 5.453681 0.056309 s 11.701243 -0.001301 s 25.105812 -0.000294 s 53.866226 0.000076 1 s 0.120667 1.000000 9 p 0.074374 0.084925 p 0.155084 0.270658 p 0.323378 0.396022 p 0.674303 0.324325 p 1.406043 0.100661 p 2.931855 -0.069802 p 6.113450 -0.000951 p 12.747651 0.001501 p 26.581165 -0.000249 1 p 0.168333 1.000000 1 d 0.651071 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Cl','Element Symbol: Cl Basis-namevtz: vtz HF-Energy: -14.741759 CCSD(T)-Energy: -14.945231 9 s 0.119944 0.148917 s 0.257348 0.503616 s 0.552157 0.523995 s 1.184691 0.013612 s 2.541836 -0.328846 s 5.453681 0.056309 s 11.701243 -0.001301 s 25.105812 -0.000294 s 53.866226 0.000076 1 s 0.185613 1.000000 1 s 0.991560 1.000000 9 p 0.074374 0.084925 p 0.155084 0.270658 p 0.323378 0.396022 p 0.674303 0.324325 p 1.406043 0.100661 p 2.931855 -0.069802 p 6.113450 -0.000951 p 12.747651 0.001501 p 26.581165 -0.000249 1 p 0.112268 1.000000 1 p 0.309583 1.000000 1 d 0.352357 1.000000 1 d 1.128796 1.000000 1 f 0.731999 1.000000 '); INSERT INTO "data_tab" VALUES(4,'Cl','Element Symbol: Cl Basis-namevqz: vqz HF-Energy: -14.741946 CCSD(T)-Energy: -14.966388 9 s 0.119944 0.148917 s 0.257348 0.503616 s 0.552157 0.523995 s 1.184691 0.013612 s 2.541836 -0.328846 s 5.453681 0.056309 s 11.701243 -0.001301 s 25.105812 -0.000294 s 53.866226 0.000076 1 s 0.161594 1.000000 1 s 0.440111 1.000000 1 s 0.848928 1.000000 9 p 0.074374 0.084925 p 0.155084 0.270658 p 0.323378 0.396022 p 0.674303 0.324325 p 1.406043 0.100661 p 2.931855 -0.069802 p 6.113450 -0.000951 p 12.747651 0.001501 p 26.581165 -0.000249 1 p 0.111309 1.000000 1 p 1.286881 1.000000 1 p 0.289403 1.000000 1 d 0.253063 1.000000 1 d 0.642589 1.000000 1 d 1.654717 1.000000 1 f 0.448175 1.000000 1 f 1.189807 1.000000 1 g 0.848307 1.000000 '); INSERT INTO "data_tab" VALUES(5,'Cl','Element Symbol: Cl Basis-namev5z: v5z HF-Energy: -14.741980 CCSD(T)-Energy: -14.972355 9 s 0.119944 0.148917 s 0.257348 0.503616 s 0.552157 0.523995 s 1.184691 0.013612 s 2.541836 -0.328846 s 5.453681 0.056309 s 11.701243 -0.001301 s 25.105812 -0.000294 s 53.866226 0.000076 1 s 0.152049 1.000000 1 s 0.639110 1.000000 1 s 0.801438 1.000000 1 s 1.671380 1.000000 9 p 0.074374 0.084925 p 0.155084 0.270658 p 0.323378 0.396022 p 0.674303 0.324325 p 1.406043 0.100661 p 2.931855 -0.069802 p 6.113450 -0.000951 p 12.747651 0.001501 p 26.581165 -0.000249 1 p 0.103926 1.000000 1 p 0.275582 1.000000 1 p 0.667436 1.000000 1 p 1.171614 1.000000 1 d 0.237419 1.000000 1 d 0.729517 1.000000 1 d 0.924049 1.000000 1 d 1.522182 1.000000 1 f 0.335123 1.000000 1 f 0.789116 1.000000 1 f 1.609975 1.000000 1 g 0.576133 1.000000 1 g 1.402971 1.000000 1 h 1.099609 1.000000'); INSERT INTO "data_tab" VALUES(2,'Ar','Element Symbol: Ar Basis-namevdz: vdz HF-Energy: -20.884139 CCSD(T)-Energy: -21.042077 9 s 0.147347 0.155473 s 0.312164 0.494617 s 0.661339 0.526705 s 1.401090 0.021986 s 2.968301 -0.338533 s 6.288539 0.056023 s 13.322677 -0.000115 s 28.224956 -0.000595 s 59.796402 0.000127 1 s 0.147526 1.000000 9 p 0.090580 0.079101 p 0.188085 0.260718 p 0.390548 0.395065 p 0.810953 0.334954 p 1.683902 0.107462 p 3.496535 -0.073657 p 7.260371 -0.001407 p 15.075781 0.001710 p 31.304069 -0.000275 1 p 0.211798 1.000000 1 d 0.810888 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Ar','Element Symbol: Ar Basis-namevtz: vtz HF-Energy: -20.884139 CCSD(T)-Energy: -21.131134 9 s 0.147347 0.155473 s 0.312164 0.494617 s 0.661339 0.526705 s 1.401090 0.021986 s 2.968301 -0.338533 s 6.288539 0.056023 s 13.322677 -0.000115 s 28.224956 -0.000595 s 59.796402 0.000127 1 s 0.228740 1.000000 1 s 1.191630 1.000000 9 p 0.090580 0.079101 p 0.188085 0.260718 p 0.390548 0.395065 p 0.810953 0.334954 p 1.683902 0.107462 p 3.496535 -0.073657 p 7.260371 -0.001407 p 15.075781 0.001710 p 31.304069 -0.000275 1 p 0.138338 1.000000 1 p 0.380189 1.000000 1 d 0.425779 1.000000 1 d 1.370859 1.000000 1 f 0.929931 1.000000 '); INSERT INTO "data_tab" VALUES(4,'Ar','Element Symbol: Ar Basis-namevqz: vqz HF-Energy: -20.884139 CCSD(T)-Energy: -21.161250 9 s 0.147347 0.155473 s 0.312164 0.494617 s 0.661339 0.526705 s 1.401090 0.021986 s 2.968301 -0.338533 s 6.288539 0.056023 s 13.322677 -0.000115 s 28.224956 -0.000595 s 59.796402 0.000127 1 s 0.196024 1.000000 1 s 0.540061 1.000000 1 s 1.020348 1.000000 9 p 0.090580 0.079101 p 0.188085 0.260718 p 0.390548 0.395065 p 0.810953 0.334954 p 1.683902 0.107462 p 3.496535 -0.073657 p 7.260371 -0.001407 p 15.075781 0.001710 p 31.304069 -0.000275 1 p 0.140701 1.000000 1 p 1.604300 1.000000 1 p 0.367738 1.000000 1 d 0.304103 1.000000 1 d 0.760464 1.000000 1 d 1.900944 1.000000 1 f 0.583628 1.000000 1 f 1.480507 1.000000 1 g 1.030824 1.000000 '); INSERT INTO "data_tab" VALUES(5,'Ar','Element Symbol: Ar Basis-namev5z: v5z HF-Energy: -20.884139 CCSD(T)-Energy: -21.170192 9 s 0.147347 0.155473 s 0.312164 0.494617 s 0.661339 0.526705 s 1.401090 0.021986 s 2.968301 -0.338533 s 6.288539 0.056023 s 13.322677 -0.000115 s 28.224956 -0.000595 s 59.796402 0.000127 1 s 0.189594 1.000000 1 s 0.778040 1.000000 1 s 0.971266 1.000000 1 s 1.979612 1.000000 9 p 0.090580 0.079101 p 0.188085 0.260718 p 0.390548 0.395065 p 0.810953 0.334954 p 1.683902 0.107462 p 3.496535 -0.073657 p 7.260371 -0.001407 p 15.075781 0.001710 p 31.304069 -0.000275 1 p 0.133916 1.000000 1 p 0.356186 1.000000 1 p 0.833562 1.000000 1 p 1.430927 1.000000 1 d 0.268113 1.000000 1 d 0.697753 1.000000 1 d 1.185366 1.000000 1 d 2.118102 1.000000 1 f 0.422461 1.000000 1 f 0.973776 1.000000 1 f 2.020616 1.000000 1 g 0.695217 1.000000 1 g 1.690111 1.000000 1 h 1.258944 1.000000'); INSERT INTO "data_tab" VALUES(2,'K','Element Symbol: K Basis-namevdz: vdz HF-Energy: -0.147527 CCSD(T)-Energy: -0.147527 9 s 0.017365 0.444154 s 0.039432 0.431906 s 0.089538 0.040955 s 0.203317 -0.178633 s 0.461676 -0.162292 s 1.048337 0.083942 s 2.380481 -0.013650 s 5.405407 0.001752 s 12.274172 -0.000216 1 s 0.134208 1.000000 9 p 0.015053 -0.022303 p 0.033214 -0.055106 p 0.073286 -0.050766 p 0.161705 0.022211 p 0.356799 0.029953 p 0.787270 -0.008213 p 1.737100 0.000160 p 3.832883 0.000253 p 8.457196 -0.000071 1 p 0.039934 1.000000 1 d 0.055562 1.000000 '); INSERT INTO "data_tab" VALUES(3,'K','Element Symbol: K Basis-namevtz: vtz HF-Energy: -0.147624 CCSD(T)-Energy: -0.147624 9 s 0.017365 0.444154 s 0.039432 0.431906 s 0.089538 0.040955 s 0.203317 -0.178633 s 0.461676 -0.162292 s 1.048337 0.083942 s 2.380481 -0.013650 s 5.405407 0.001752 s 12.274172 -0.000216 1 s 0.057933 1.000000 1 s 0.171219 1.000000 9 p 0.015053 -0.022303 p 0.033214 -0.055106 p 0.073286 -0.050766 p 0.161705 0.022211 p 0.356799 0.029953 p 0.787270 -0.008213 p 1.737100 0.000160 p 3.832883 0.000253 p 8.457196 -0.000071 1 p 0.044643 1.000000 1 p 0.256200 1.000000 1 d 0.060330 1.000000 1 d 0.581732 1.000000 1 f 0.473119 1.000000'); INSERT INTO "data_tab" VALUES(2,'Ca','Element Symbol: Ca Basis-namevdz: vdz HF-Energy: -1.733603 CCSD(T)-Energy: -1.799647 9 s 0.019220 0.031083 s 0.044206 0.129599 s 0.101674 0.197919 s 0.233852 -0.075445 s 0.537862 -0.197849 s 1.237092 0.083244 s 2.845329 -0.012885 s 6.544301 0.001791 s 15.051990 -0.000245 1 s 0.124975 1.000000 9 p 0.008008 -0.005632 p 0.018417 0.031052 p 0.042355 0.094286 p 0.097408 0.163876 p 0.224018 -0.003961 p 0.515195 -0.111912 p 1.184839 0.031892 p 2.724878 -0.004517 p 6.266642 0.000588 1 p 0.126295 1.000000 1 d 0.607820 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Ca','Element Symbol: Ca Basis-namevtz: vtz HF-Energy: -1.738556 CCSD(T)-Energy: -1.808349 9 s 0.019220 0.031083 s 0.044206 0.129599 s 0.101674 0.197919 s 0.233852 -0.075445 s 0.537862 -0.197849 s 1.237092 0.083244 s 2.845329 -0.012885 s 6.544301 0.001791 s 15.051990 -0.000245 1 s 0.108753 1.000000 1 s 0.367753 1.000000 9 p 0.008008 -0.005632 p 0.018417 0.031052 p 0.042355 0.094286 p 0.097408 0.163876 p 0.224018 -0.003961 p 0.515195 -0.111912 p 1.184839 0.031892 p 2.724878 -0.004517 p 6.266642 0.000588 1 p 0.044555 1.000000 1 p 0.118007 1.000000 1 d 0.182720 1.000000 1 d 0.854471 1.000000 1 f 0.185370 1.000000'); INSERT INTO "data_tab" VALUES(2,'Ga','Element Symbol: Ga Basis-namevdz: vdz HF-Energy: -1.975237 CCSD(T)-Energy: -2.019073 9 s 0.054628 0.253171 s 0.123743 0.598295 s 0.280299 0.356909 s 0.634926 -0.056544 s 1.438218 -0.411266 s 3.257814 0.156079 s 7.379514 -0.025142 s 16.715879 0.004089 s 37.864367 -0.000622 1 s 0.031898 1.000000 9 p 0.029207 0.759400 p 0.064420 -0.022059 p 0.142086 0.368252 p 0.313389 0.051142 p 0.691221 0.036655 p 1.524577 -0.078589 p 3.362652 0.017781 p 7.416764 -0.002498 p 16.358632 0.000386 1 p 0.027155 1.000000 1 d 0.182311 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Ga','Element Symbol: Ga Basis-namevtz: vtz HF-Energy: -1.977538 CCSD(T)-Energy: -2.028322 9 s 0.054628 0.253171 s 0.123743 0.598295 s 0.280299 0.356909 s 0.634926 -0.056544 s 1.438218 -0.411266 s 3.257814 0.156079 s 7.379514 -0.025142 s 16.715879 0.004089 s 37.864367 -0.000622 1 s 0.069703 1.000000 1 s 0.341994 1.000000 9 p 0.029207 0.759400 p 0.064420 -0.022059 p 0.142086 0.368252 p 0.313389 0.051142 p 0.691221 0.036655 p 1.524577 -0.078589 p 3.362652 0.017781 p 7.416764 -0.002498 p 16.358632 0.000386 1 p 0.027309 1.000000 1 p 0.064029 1.000000 1 d 0.105092 1.000000 1 d 0.266379 1.000000 1 f 0.297554 1.000000'); INSERT INTO "data_tab" VALUES(2,'Ge','Element Symbol: Ge Basis-namevdz: vdz HF-Energy: -3.651512 CCSD(T)-Energy: -3.711099 9 s 0.066287 0.213230 s 0.150128 0.605570 s 0.340013 0.413442 s 0.770064 -0.106356 s 1.744049 -0.364579 s 3.949940 0.127448 s 8.945864 -0.017166 s 20.260687 0.002454 s 45.886614 -0.000355 1 s 0.043781 1.000000 9 p 0.036511 0.098680 p 0.080524 0.372290 p 0.177593 0.443836 p 0.391677 0.232585 p 0.863832 0.000058 p 1.905157 -0.108282 p 4.201772 0.021894 p 9.266892 -0.001911 p 20.437873 0.000181 1 p 0.074726 1.000000 1 d 0.234278 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Ge','Element Symbol: Ge Basis-namevtz: vtz HF-Energy: -3.651566 CCSD(T)-Energy: -3.722250 9 s 0.066287 0.213230 s 0.150128 0.605570 s 0.340013 0.413442 s 0.770064 -0.106356 s 1.744049 -0.364579 s 3.949940 0.127448 s 8.945864 -0.017166 s 20.260687 0.002454 s 45.886614 -0.000355 1 s 0.091049 1.000000 1 s 0.445676 1.000000 9 p 0.036511 0.098680 p 0.080524 0.372290 p 0.177593 0.443836 p 0.391677 0.232585 p 0.863832 0.000058 p 1.905157 -0.108282 p 4.201772 0.021894 p 9.266892 -0.001911 p 20.437873 0.000181 1 p 0.040412 1.000000 1 p 0.092450 1.000000 1 d 0.130147 1.000000 1 d 0.323826 1.000000 1 f 0.352814 1.000000'); INSERT INTO "data_tab" VALUES(2,'As','Element Symbol: As Basis-namevdz: vdz HF-Energy: -6.042213 CCSD(T)-Energy: -6.112605 9 s 0.079412 0.192043 s 0.178687 0.611682 s 0.402068 0.439261 s 0.904702 -0.110280 s 2.035691 -0.394179 s 4.580555 0.145632 s 10.306811 -0.021379 s 23.191593 0.003205 s 52.183937 -0.000469 1 s 0.051480 1.000000 9 p 0.050626 0.105058 p 0.108692 0.361819 p 0.233354 0.452107 p 0.500995 0.231243 p 1.075603 -0.009549 p 2.309248 -0.121767 p 4.957802 0.028648 p 10.644071 -0.002941 p 22.852115 0.000293 1 p 0.095623 1.000000 1 d 0.297652 1.000000 '); INSERT INTO "data_tab" VALUES(3,'As','Element Symbol: As Basis-namevtz: vtz HF-Energy: -6.042212 CCSD(T)-Energy: -6.133416 9 s 0.079412 0.192043 s 0.178687 0.611682 s 0.402068 0.439261 s 0.904702 -0.110280 s 2.035691 -0.394179 s 4.580555 0.145632 s 10.306811 -0.021379 s 23.191593 0.003205 s 52.183937 -0.000469 1 s 0.113088 1.000000 1 s 0.540159 1.000000 9 p 0.050626 0.105058 p 0.108692 0.361819 p 0.233354 0.452107 p 0.500995 0.231243 p 1.075603 -0.009549 p 2.309248 -0.121767 p 4.957802 0.028648 p 10.644071 -0.002941 p 22.852115 0.000293 1 p 0.612326 1.000000 1 p 0.100851 1.000000 1 d 0.165790 1.000000 1 d 0.412063 1.000000 1 f 0.425290 1.000000'); INSERT INTO "data_tab" VALUES(2,'Se','Element Symbol: Se Basis-namevdz: vdz HF-Energy: -9.130646 CCSD(T)-Energy: -9.221187 9 s 0.096883 0.200965 s 0.217674 0.615093 s 0.489067 0.462636 s 1.098828 -0.204179 s 2.468828 -0.307584 s 5.546920 0.109895 s 12.462726 -0.012288 s 28.001040 0.001205 s 62.912258 -0.000132 1 s 0.062467 1.000000 9 p 0.056147 0.073504 p 0.122259 0.334692 p 0.266220 0.473323 p 0.579694 0.276571 p 1.262286 -0.032356 p 2.748631 -0.103709 p 5.985152 0.020181 p 13.032685 -0.001095 p 28.378708 0.000019 1 p 0.107381 1.000000 1 d 0.348649 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Se','Element Symbol: Se Basis-namevtz: vtz HF-Energy: -9.132375 CCSD(T)-Energy: -9.258881 9 s 0.096883 0.200965 s 0.217674 0.615093 s 0.489067 0.462636 s 1.098828 -0.204179 s 2.468828 -0.307584 s 5.546920 0.109895 s 12.462726 -0.012288 s 28.001040 0.001205 s 62.912258 -0.000132 1 s 0.130387 1.000000 1 s 0.584755 1.000000 9 p 0.056147 0.073504 p 0.122259 0.334692 p 0.266220 0.473323 p 0.579694 0.276571 p 1.262286 -0.032356 p 2.748631 -0.103709 p 5.985152 0.020181 p 13.032685 -0.001095 p 28.378708 0.000019 1 p 0.069683 1.000000 1 p 0.141231 1.000000 1 d 0.195235 1.000000 1 d 0.471051 1.000000 1 f 0.466246 1.000000'); INSERT INTO "data_tab" VALUES(2,'Br','Element Symbol: Br Basis-namevdz: vdz HF-Energy: -13.124612 CCSD(T)-Energy: -13.235352 9 s 0.114626 0.199832 s 0.253024 0.605806 s 0.558520 0.486414 s 1.232866 -0.208964 s 2.721403 -0.328448 s 6.007171 0.118471 s 13.260109 -0.013112 s 29.270100 0.001206 s 64.610234 -0.000121 1 s 0.074712 1.000000 9 p 0.067990 0.107992 p 0.145507 0.331860 p 0.311403 0.442871 p 0.666441 0.283256 p 1.426267 -0.026045 p 3.052389 -0.111323 p 6.532494 0.021712 p 13.980353 -0.001188 p 29.919703 0.000022 1 p 0.129654 1.000000 1 d 0.417296 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Br','Element Symbol: Br Basis-namevtz: vtz HF-Energy: -13.125979 CCSD(T)-Energy: -13.288432 9 s 0.114626 0.199832 s 0.253024 0.605806 s 0.558520 0.486414 s 1.232866 -0.208964 s 2.721403 -0.328448 s 6.007171 0.118471 s 13.260109 -0.013112 s 29.270100 0.001206 s 64.610234 -0.000121 1 s 0.154401 1.000000 1 s 0.660618 1.000000 9 p 0.067990 0.107992 p 0.145507 0.331860 p 0.311403 0.442871 p 0.666441 0.283256 p 1.426267 -0.026045 p 3.052389 -0.111323 p 6.532494 0.021712 p 13.980353 -0.001188 p 29.919703 0.000022 1 p 0.078655 1.000000 1 p 0.164043 1.000000 1 d 0.234980 1.000000 1 d 0.568017 1.000000 1 f 0.555711 1.000000'); INSERT INTO "data_tab" VALUES(2,'Kr','Element Symbol: Kr Basis-namevdz: vdz HF-Energy: -18.128728 CCSD(T)-Energy: -18.252979 9 s 0.129911 0.183453 s 0.282220 0.596016 s 0.613098 0.506410 s 1.331901 -0.150926 s 2.893437 -0.423611 s 6.285735 0.162644 s 13.655203 -0.023284 s 29.664719 0.003157 s 64.443973 -0.000422 1 s 0.634619 1.000000 9 p 0.079314 0.096705 p 0.167216 0.312567 p 0.352539 0.448237 p 0.743252 0.298640 p 1.566988 -0.003641 p 3.303659 -0.138798 p 6.965055 0.029989 p 14.684325 -0.002578 p 30.958748 0.000205 1 p 0.149902 1.000000 1 d 0.487932 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Kr','Element Symbol: Kr Basis-namevtz: vtz HF-Energy: -18.128728 CCSD(T)-Energy: -18.321380 9 s 0.129911 0.183453 s 0.282220 0.596016 s 0.613098 0.506410 s 1.331901 -0.150926 s 2.893437 -0.423611 s 6.285735 0.162644 s 13.655203 -0.023284 s 29.664719 0.003157 s 64.443973 -0.000422 1 s 0.179349 1.000000 1 s 0.755436 1.000000 9 p 0.079314 0.096705 p 0.167216 0.312567 p 0.352539 0.448237 p 0.743252 0.298640 p 1.566988 -0.003641 p 3.303659 -0.138798 p 6.965055 0.029989 p 14.684325 -0.002578 p 30.958748 0.000205 1 p 0.094685 1.000000 1 p 0.189991 1.000000 1 d 0.279731 1.000000 1 d 0.675347 1.000000 1 f 0.685639 1.000000'); INSERT INTO "data_tab" VALUES(2,'Rb','Element Symbol: Rb Basis-namevdz: vdz HF-Energy: -0.139568 CCSD(T)-Energy: -0.139568 9 s 0.015824 0.483651 s 0.036041 0.682975 s 0.082088 -0.024815 s 0.186966 -0.191050 s 0.425839 -0.214531 s 0.969902 0.147399 s 2.209071 -0.038358 s 5.031431 0.007363 s 11.459706 -0.001094 1 s 0.017125 1.000000 9 p 0.009962 0.130254 p 0.023857 0.223104 p 0.057128 -0.295955 p 0.136803 0.122174 p 0.327596 0.000501 p 0.784480 -0.005930 p 1.878563 0.001091 p 4.498517 -0.000097 p 10.772413 -0.000002 1 p 0.014140 1.000000 1 d 0.037953 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Rb','Element Symbol: Rb Basis-namevtz: vtz HF-Energy: -0.139568 CCSD(T)-Energy: -0.139568 9 s 0.015824 0.483651 s 0.036041 0.682975 s 0.082088 -0.024815 s 0.186966 -0.191050 s 0.425839 -0.214531 s 0.969902 0.147399 s 2.209071 -0.038358 s 5.031431 0.007363 s 11.459706 -0.001094 1 s 0.046223 1.000000 1 s 0.150890 1.000000 9 p 0.009962 0.130254 p 0.023857 0.223104 p 0.057128 -0.295955 p 0.136803 0.122174 p 0.327596 0.000501 p 0.784480 -0.005930 p 1.878563 0.001091 p 4.498517 -0.000097 p 10.772413 -0.000002 1 p 0.017975 1.000000 1 p 0.139593 1.000000 1 d 0.048316 1.000000 1 d 0.511469 1.000000 1 f 0.061541 1.000000'); INSERT INTO "data_tab" VALUES(2,'Sr','Element Symbol: Sr Basis-namevdz: vdz HF-Energy: -1.672139 CCSD(T)-Energy: -1.737614 9 s 0.019429 0.044654 s 0.043476 0.138301 s 0.097283 0.169624 s 0.217685 -0.093894 s 0.487102 -0.247613 s 1.089961 0.160101 s 2.438947 -0.043595 s 5.457499 0.008684 s 12.211949 -0.001296 1 s 0.091481 1.000000 9 p 0.027297 0.079015 p 0.055025 0.109563 p 0.110920 0.096798 p 0.223593 -0.047473 p 0.450721 -0.171028 p 0.908566 0.104848 p 1.831493 -0.029516 p 3.691937 0.006196 p 7.442231 -0.000955 1 p 0.098678 1.000000 1 d 0.433416 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Sr','Element Symbol: Sr Basis-namevtz: vtz HF-Energy: -1.675765 CCSD(T)-Energy: -1.745003 9 s 0.019429 0.044654 s 0.043476 0.138301 s 0.097283 0.169624 s 0.217685 -0.093894 s 0.487102 -0.247613 s 1.089961 0.160101 s 2.438947 -0.043595 s 5.457499 0.008684 s 12.211949 -0.001296 1 s 0.058772 1.000000 1 s 0.399132 1.000000 9 p 0.027297 0.079015 p 0.055025 0.109563 p 0.110920 0.096798 p 0.223593 -0.047473 p 0.450721 -0.171028 p 0.908566 0.104848 p 1.831493 -0.029516 p 3.691937 0.006196 p 7.442231 -0.000955 1 p 0.283264 1.000000 1 p 0.103874 1.000000 1 d 0.119806 1.000000 1 d 0.528269 1.000000 1 f 0.164546 1.000000'); INSERT INTO "data_tab" VALUES(2,'In','Element Symbol: In Basis-namevdz: vdz HF-Energy: -1.789168 CCSD(T)-Energy: -1.828073 9 s 0.048513 0.266560 s 0.104327 0.595345 s 0.224354 0.377654 s 0.482469 -0.036404 s 1.037542 -0.581005 s 2.231217 0.270265 s 4.798193 -0.053715 s 10.318430 0.008961 s 22.189605 -0.001283 1 s 0.024011 1.000000 9 p 0.024898 0.739358 p 0.052455 -0.048330 p 0.110513 0.414377 p 0.232832 0.046307 p 0.490534 0.047980 p 1.033468 -0.124316 p 2.177331 0.037471 p 4.587245 -0.006011 p 9.664500 0.000835 1 p 0.022887 1.000000 1 d 0.136213 1.000000 '); INSERT INTO "data_tab" VALUES(3,'In','Element Symbol: In Basis-namevtz: vtz HF-Energy: -1.791298 CCSD(T)-Energy: -1.835936 9 s 0.048513 0.266560 s 0.104327 0.595345 s 0.224354 0.377654 s 0.482469 -0.036404 s 1.037542 -0.581005 s 2.231217 0.270265 s 4.798193 -0.053715 s 10.318430 0.008961 s 22.189605 -0.001283 1 s 0.061026 1.000000 1 s 0.254654 1.000000 9 p 0.024898 0.739358 p 0.052455 -0.048330 p 0.110513 0.414377 p 0.232832 0.046307 p 0.490534 0.047980 p 1.033468 -0.124316 p 2.177331 0.037471 p 4.587245 -0.006011 p 9.664500 0.000835 1 p 0.023836 1.000000 1 p 0.047183 1.000000 1 d 0.092239 1.000000 1 d 0.190116 1.000000 1 f 0.255751 1.000000'); INSERT INTO "data_tab" VALUES(2,'Sn','Element Symbol: Sn Basis-namevdz: vdz HF-Energy: -3.244277 CCSD(T)-Energy: -3.297181 9 s 0.059000 0.238882 s 0.124327 0.598806 s 0.261986 0.422531 s 0.552065 -0.035727 s 1.163330 -0.631790 s 2.451407 0.294297 s 5.165685 -0.057592 s 10.885303 0.009333 s 22.937872 -0.001298 1 s 0.031199 1.000000 9 p 0.030513 0.083958 p 0.063306 0.340660 p 0.131342 0.458257 p 0.272497 0.257950 p 0.565351 0.020922 p 1.172938 -0.189121 p 2.433504 0.054068 p 5.048810 -0.007013 p 10.474808 0.000749 1 p 0.058385 1.000000 1 d 0.170348 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Sn','Element Symbol: Sn Basis-namevtz: vtz HF-Energy: -3.244331 CCSD(T)-Energy: -3.308613 9 s 0.059000 0.238882 s 0.124327 0.598806 s 0.261986 0.422531 s 0.552065 -0.035727 s 1.163330 -0.631790 s 2.451407 0.294297 s 5.165685 -0.057592 s 10.885303 0.009333 s 22.937872 -0.001298 1 s 0.078210 1.000000 1 s 0.308424 1.000000 9 p 0.030513 0.083958 p 0.063306 0.340660 p 0.131342 0.458257 p 0.272497 0.257950 p 0.565351 0.020922 p 1.172938 -0.189121 p 2.433504 0.054068 p 5.048810 -0.007013 p 10.474808 0.000749 1 p 0.064892 1.000000 1 p 0.376619 1.000000 1 d 0.107845 1.000000 1 d 0.223450 1.000000 1 f 0.281256 1.000000'); INSERT INTO "data_tab" VALUES(2,'Sb','Element Symbol: Sb Basis-namevdz: vdz HF-Energy: -5.283212 CCSD(T)-Energy: -5.345312 9 s 0.069280 0.217459 s 0.143940 0.599932 s 0.299056 0.459407 s 0.621332 -0.042472 s 1.290905 -0.650362 s 2.682040 0.298333 s 5.572320 -0.056893 s 11.577290 0.009102 s 24.053472 -0.001255 1 s 0.037942 1.000000 9 p 0.040092 0.081712 p 0.080679 0.322605 p 0.162356 0.464722 p 0.326720 0.277088 p 0.657481 0.009090 p 1.323093 -0.194825 p 2.662550 0.054392 p 5.358030 -0.006455 p 10.782327 0.000629 1 p 0.073629 1.000000 1 d 0.210604 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Sb','Element Symbol: Sb Basis-namevtz: vtz HF-Energy: -5.283212 CCSD(T)-Energy: -5.364895 9 s 0.069280 0.217459 s 0.143940 0.599932 s 0.299056 0.459407 s 0.621332 -0.042472 s 1.290905 -0.650362 s 2.682040 0.298333 s 5.572320 -0.056893 s 11.577290 0.009102 s 24.053472 -0.001255 1 s 0.095057 1.000000 1 s 0.381961 1.000000 9 p 0.040092 0.081712 p 0.080679 0.322605 p 0.162356 0.464722 p 0.326720 0.277088 p 0.657481 0.009090 p 1.323093 -0.194825 p 2.662550 0.054392 p 5.358030 -0.006455 p 10.782327 0.000629 1 p 0.444761 1.000000 1 p 0.083227 1.000000 1 d 0.132431 1.000000 1 d 0.277357 1.000000 1 f 0.335242 1.000000'); INSERT INTO "data_tab" VALUES(2,'Te','Element Symbol: Te Basis-namevdz: vdz HF-Energy: -7.872220 CCSD(T)-Energy: -7.950924 9 s 0.075142 0.172506 s 0.157584 0.588177 s 0.330475 0.542659 s 0.693051 -0.103930 s 1.453424 -0.570963 s 3.048032 0.239627 s 6.392144 -0.037900 s 13.405211 0.005057 s 28.112581 -0.000643 1 s 0.045193 1.000000 9 p 0.044821 0.059581 p 0.089826 0.289200 p 0.180021 0.467423 p 0.360780 0.331776 p 0.723040 0.005406 p 1.449048 -0.191721 p 2.904042 0.045538 p 5.820001 -0.003600 p 11.663885 0.000205 1 p 0.080058 1.000000 1 d 0.238566 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Te','Element Symbol: Te Basis-namevtz: vtz HF-Energy: -7.873626 CCSD(T)-Energy: -7.988770 9 s 0.075142 0.172506 s 0.157584 0.588177 s 0.330475 0.542659 s 0.693051 -0.103930 s 1.453424 -0.570963 s 3.048032 0.239627 s 6.392144 -0.037900 s 13.405211 0.005057 s 28.112581 -0.000643 1 s 0.104759 1.000000 1 s 0.409341 1.000000 9 p 0.044821 0.059581 p 0.089826 0.289200 p 0.180021 0.467423 p 0.360780 0.331776 p 0.723040 0.005406 p 1.449048 -0.191721 p 2.904042 0.045538 p 5.820001 -0.003600 p 11.663885 0.000205 1 p 0.083068 1.000000 1 p 0.468540 1.000000 1 d 0.156856 1.000000 1 d 0.310218 1.000000 1 f 0.355218 1.000000'); INSERT INTO "data_tab" VALUES(2,'I','Element Symbol: I Basis-namevdz: vdz HF-Energy: -11.178777 CCSD(T)-Energy: -11.270900 9 s 0.093293 0.205902 s 0.193211 0.623144 s 0.400142 0.491788 s 0.828698 -0.113418 s 1.716243 -0.678442 s 3.554356 0.356660 s 7.361107 -0.078676 s 15.244927 0.013475 s 31.572396 -0.001859 1 s 0.047406 1.000000 9 p 0.056487 0.112792 p 0.113038 0.317009 p 0.226204 0.456514 p 0.452663 0.284746 p 0.905837 -0.012076 p 1.812697 -0.230182 p 3.627439 0.082214 p 7.258973 -0.012492 p 14.526139 0.001285 1 p 0.088978 1.000000 1 d 0.269408 1.000000 '); INSERT INTO "data_tab" VALUES(3,'I','Element Symbol: I Basis-namevtz: vtz HF-Energy: -11.180081 CCSD(T)-Energy: -11.325501 9 s 0.093293 0.205902 s 0.193211 0.623144 s 0.400142 0.491788 s 0.828698 -0.113418 s 1.716243 -0.678442 s 3.554356 0.356660 s 7.361107 -0.078676 s 15.244927 0.013475 s 31.572396 -0.001859 1 s 0.130955 1.000000 1 s 0.352610 1.000000 9 p 0.056487 0.112792 p 0.113038 0.317009 p 0.226204 0.456514 p 0.452663 0.284746 p 0.905837 -0.012076 p 1.812697 -0.230182 p 3.627439 0.082214 p 7.258973 -0.012492 p 14.526139 0.001285 1 p 0.107932 1.000000 1 p 0.587427 1.000000 1 d 0.189832 1.000000 1 d 0.346633 1.000000 1 f 0.430486 1.000000'); INSERT INTO "data_tab" VALUES(2,'Xe','Element Symbol: Xe Basis-namevdz: vdz HF-Energy: -15.276046 CCSD(T)-Energy: -15.367146 9 s 0.102640 0.191464 s 0.213839 0.622770 s 0.445507 0.534309 s 0.928158 -0.198001 s 1.933703 -0.566409 s 4.028632 0.286498 s 8.393159 -0.056363 s 17.486112 0.008649 s 36.430159 -0.001133 1 s 0.476026 1.000000 9 p 0.064650 0.098971 p 0.128837 0.311502 p 0.256753 0.460882 p 0.511669 0.309078 p 1.019678 -0.040260 p 2.032062 -0.202851 p 4.049587 0.067000 p 8.070204 -0.008468 p 16.082675 0.000710 1 p 0.404825 1.000000 1 d 0.299432 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Xe','Element Symbol: Xe Basis-namevtz: vtz HF-Energy: -15.276046 CCSD(T)-Energy: -15.445559 9 s 0.102640 0.191464 s 0.213839 0.622770 s 0.445507 0.534309 s 0.928158 -0.198001 s 1.933703 -0.566409 s 4.028632 0.286498 s 8.393159 -0.056363 s 17.486112 0.008649 s 36.430159 -0.001133 1 s 0.141271 1.000000 1 s 0.525354 1.000000 9 p 0.064650 0.098971 p 0.128837 0.311502 p 0.256753 0.460882 p 0.511669 0.309078 p 1.019678 -0.040260 p 2.032062 -0.202851 p 4.049587 0.067000 p 8.070204 -0.008468 p 16.082675 0.000710 1 p 0.129211 1.000000 1 p 0.655418 1.000000 1 d 0.226214 1.000000 1 d 0.397375 1.000000 1 f 0.496836 1.000000'); INSERT INTO "data_tab" VALUES(2,'Cs','Element Symbol: Cs Basis-namevdz: vdz HF-Energy: -0.127674 CCSD(T)-Energy: -0.127674 9 s 0.011442 0.303329 s 0.025922 0.824883 s 0.058728 0.058011 s 0.133054 -0.209752 s 0.301446 -0.290149 s 0.682952 0.194247 s 1.547285 -0.052400 s 3.505507 0.010597 s 7.942027 -0.001633 1 s 0.031425 1.000000 9 p 0.008763 0.107173 p 0.019961 0.250585 p 0.045467 -0.348843 p 0.103563 0.160806 p 0.235895 -0.011956 p 0.537318 -0.001447 p 1.223896 -0.000973 p 2.787774 0.000658 p 6.349954 -0.000179 1 p 0.187114 1.000000 1 d 0.105800 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Cs','Element Symbol: Cs Basis-namevtz: vtz HF-Energy: -0.127674 CCSD(T)-Energy: -0.127674 9 s 0.011442 0.303329 s 0.025922 0.824883 s 0.058728 0.058011 s 0.133054 -0.209752 s 0.301446 -0.290149 s 0.682952 0.194247 s 1.547285 -0.052400 s 3.505507 0.010597 s 7.942027 -0.001633 1 s 0.030554 1.000000 1 s 0.113847 1.000000 9 p 0.008763 0.107173 p 0.019961 0.250585 p 0.045467 -0.348843 p 0.103563 0.160806 p 0.235895 -0.011956 p 0.537318 -0.001447 p 1.223896 -0.000973 p 2.787774 0.000658 p 6.349954 -0.000179 1 p 0.014390 1.000000 1 p 0.116111 1.000000 1 d 0.055589 1.000000 1 d 0.241832 1.000000 1 f 0.180414 1.000000'); INSERT INTO "data_tab" VALUES(2,'Ba','Element Symbol: Ba Basis-namevdz: vdz HF-Energy: -1.610170 CCSD(T)-Energy: -1.675304 9 s 0.026951 0.124528 s 0.061991 0.149294 s 0.142589 0.000545 s 0.327978 -0.296677 s 0.754402 0.159361 s 1.735248 -0.038868 s 3.991352 0.007982 s 9.180759 -0.001801 s 21.117236 0.000323 1 s 0.074407 1.000000 9 p 0.004072 0.001465 p 0.009364 -0.008152 p 0.021535 0.082879 p 0.049525 0.134238 p 0.113895 0.044910 p 0.261930 -0.204506 p 0.602371 0.071512 p 1.385297 -0.012600 p 3.185823 0.001672 1 p 0.082723 1.000000 1 d 0.290433 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Ba','Element Symbol: Ba Basis-namevtz: vtz HF-Energy: -1.614237 CCSD(T)-Energy: -1.682836 9 s 0.026951 0.124528 s 0.061991 0.149294 s 0.142589 0.000545 s 0.327978 -0.296677 s 0.754402 0.159361 s 1.735248 -0.038868 s 3.991352 0.007982 s 9.180759 -0.001801 s 21.117236 0.000323 1 s 0.046036 1.000000 1 s 0.358001 1.000000 9 p 0.004072 0.001465 p 0.009364 -0.008152 p 0.021535 0.082879 p 0.049525 0.134238 p 0.113895 0.044910 p 0.261930 -0.204506 p 0.602371 0.071512 p 1.385297 -0.012600 p 3.185823 0.001672 1 p 0.179177 1.000000 1 p 0.108351 1.000000 1 d 0.083501 1.000000 1 d 0.336189 1.000000 1 f 0.166563 1.000000'); INSERT INTO "data_tab" VALUES(2,'Tl','Element Symbol: Tl Basis-namevdz: vdz HF-Energy: -1.885092 CCSD(T)-Energy: -1.914322 9 s 0.062145 0.342000 s 0.123848 0.545081 s 0.246813 0.349532 s 0.491866 0.191962 s 0.980226 -1.133349 s 1.953465 0.667322 s 3.893007 -0.183402 s 7.758267 0.036089 s 15.461238 -0.005048 1 s 0.093384 1.000000 9 p 0.026802 0.849514 p 0.054580 -0.193930 p 0.111148 0.480000 p 0.226344 -0.014563 p 0.460933 0.099645 p 0.938656 -0.202294 p 1.911505 0.080577 p 3.892639 -0.016631 p 7.927075 0.002321 1 p 0.022400 1.000000 1 d 0.118701 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Tl','Element Symbol: Tl Basis-namevtz: vtz HF-Energy: -1.882960 CCSD(T)-Energy: -1.920596 9 s 0.062145 0.342000 s 0.123848 0.545081 s 0.246813 0.349532 s 0.491866 0.191962 s 0.980226 -1.133349 s 1.953465 0.667322 s 3.893007 -0.183402 s 7.758267 0.036089 s 15.461238 -0.005048 1 s 0.068675 1.000000 1 s 0.224321 1.000000 9 p 0.026802 0.849514 p 0.054580 -0.193930 p 0.111148 0.480000 p 0.226344 -0.014563 p 0.460933 0.099645 p 0.938656 -0.202294 p 1.911505 0.080577 p 3.892639 -0.016631 p 7.927075 0.002321 1 p 0.028046 1.000000 1 p 0.141424 1.000000 1 d 0.149051 1.000000 1 d 0.594749 1.000000 1 f 0.231618 1.000000'); INSERT INTO "data_tab" VALUES(2,'Pb','Element Symbol: Pb Basis-namevdz: vdz HF-Energy: -3.307080 CCSD(T)-Energy: -3.347796 9 s 0.073981 0.324264 s 0.147087 0.571155 s 0.292431 0.374051 s 0.581400 0.124749 s 1.155914 -1.112721 s 2.298139 0.681231 s 4.569061 -0.191716 s 9.084013 0.037806 s 18.060446 -0.005225 1 s 0.027053 1.000000 9 p 0.036515 0.171402 p 0.072248 0.355473 p 0.142946 0.438265 p 0.282828 0.182315 p 0.559594 0.038526 p 1.107191 -0.295227 p 2.190647 0.129708 p 4.334333 -0.025877 p 8.575748 0.003106 1 p 0.050333 1.000000 1 d 0.143903 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Pb','Element Symbol: Pb Basis-namevtz: vtz HF-Energy: -3.307077 CCSD(T)-Energy: -3.359866 9 s 0.073981 0.324264 s 0.147087 0.571155 s 0.292431 0.374051 s 0.581400 0.124749 s 1.155914 -1.112721 s 2.298139 0.681231 s 4.569061 -0.191716 s 9.084013 0.037806 s 18.060446 -0.005225 1 s 0.093738 1.000000 1 s 0.216294 1.000000 9 p 0.036515 0.171402 p 0.072248 0.355473 p 0.142946 0.438265 p 0.282828 0.182315 p 0.559594 0.038526 p 1.107191 -0.295227 p 2.190647 0.129708 p 4.334333 -0.025877 p 8.575748 0.003106 1 p 0.364049 1.000000 1 p 0.064386 1.000000 1 d 0.172323 1.000000 1 d 0.607293 1.000000 1 f 0.238404 1.000000'); INSERT INTO "data_tab" VALUES(2,'Bi','Element Symbol: Bi Basis-namevdz: vdz HF-Energy: -5.265446 CCSD(T)-Energy: -5.312492 9 s 0.082248 0.282386 s 0.164490 0.593494 s 0.328968 0.424216 s 0.657912 0.038472 s 1.315777 -0.999227 s 2.631462 0.598472 s 5.262739 -0.160394 s 10.525107 0.030465 s 21.049473 -0.004168 1 s 0.033232 1.000000 9 p 0.044793 0.143664 p 0.087289 0.347153 p 0.170104 0.460130 p 0.331490 0.210922 p 0.645988 0.005175 p 1.258866 -0.293261 p 2.453207 0.131047 p 4.780671 -0.025394 p 9.316301 0.002893 1 p 0.061071 1.000000 1 d 0.168534 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Bi','Element Symbol: Bi Basis-namevtz: vtz HF-Energy: -5.265442 CCSD(T)-Energy: -5.331111 9 s 0.082248 0.282386 s 0.164490 0.593494 s 0.328968 0.424216 s 0.657912 0.038472 s 1.315777 -0.999227 s 2.631462 0.598472 s 5.262739 -0.160394 s 10.525107 0.030465 s 21.049473 -0.004168 1 s 0.106821 1.000000 1 s 0.302685 1.000000 9 p 0.044793 0.143664 p 0.087289 0.347153 p 0.170104 0.460130 p 0.331490 0.210922 p 0.645988 0.005175 p 1.258866 -0.293261 p 2.453207 0.131047 p 4.780671 -0.025394 p 9.316301 0.002893 1 p 0.418167 1.000000 1 p 0.080749 1.000000 1 d 0.202607 1.000000 1 d 0.774412 1.000000 1 f 0.256449 1.000000'); INSERT INTO "data_tab" VALUES(2,'Po','Element Symbol: Po Basis-namevdz: vdz HF-Energy: -7.719173 CCSD(T)-Energy: -7.776804 9 s 0.088283 0.231892 s 0.178248 0.604604 s 0.359891 0.486838 s 0.726636 -0.020877 s 1.467111 -0.915693 s 2.962164 0.530287 s 5.980742 -0.134624 s 12.075388 0.024651 s 24.380753 -0.003353 1 s 0.037768 1.000000 9 p 0.044924 0.081132 p 0.089086 0.312154 p 0.176659 0.485758 p 0.350319 0.289954 p 0.694690 -0.005099 p 1.377585 -0.290284 p 2.731780 0.120724 p 5.417177 -0.021788 p 10.742374 0.002411 1 p 0.062466 1.000000 1 d 0.180317 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Po','Element Symbol: Po Basis-namevtz: vtz HF-Energy: -7.720131 CCSD(T)-Energy: -7.811554 9 s 0.088283 0.231892 s 0.178248 0.604604 s 0.359891 0.486838 s 0.726636 -0.020877 s 1.467111 -0.915693 s 2.962164 0.530287 s 5.980742 -0.134624 s 12.075388 0.024651 s 24.380753 -0.003353 1 s 0.121540 1.000000 1 s 0.294130 1.000000 9 p 0.044924 0.081132 p 0.089086 0.312154 p 0.176659 0.485758 p 0.350319 0.289954 p 0.694690 -0.005099 p 1.377585 -0.290284 p 2.731780 0.120724 p 5.417177 -0.021788 p 10.742374 0.002411 1 p 0.085474 1.000000 1 p 0.447719 1.000000 1 d 0.223321 1.000000 1 d 0.766801 1.000000 1 f 0.260178 1.000000'); INSERT INTO "data_tab" VALUES(2,'At','Element Symbol: At Basis-namevdz: vdz HF-Energy: -10.819016 CCSD(T)-Energy: -10.889430 9 s 0.100143 0.225290 s 0.199361 0.601541 s 0.396881 0.515609 s 0.790095 -0.010167 s 1.572891 -0.996102 s 3.131250 0.588717 s 6.233573 -0.152415 s 12.409558 0.028000 s 24.704472 -0.003759 1 s 0.042701 1.000000 9 p 0.053678 0.126224 p 0.104254 0.308300 p 0.202485 0.458455 p 0.393270 0.283998 p 0.763818 0.007241 p 1.483503 -0.319237 p 2.881292 0.136193 p 5.596107 -0.024849 p 10.868879 0.002680 1 p 0.074570 1.000000 1 d 0.204779 1.000000 '); INSERT INTO "data_tab" VALUES(3,'At','Element Symbol: At Basis-namevtz: vtz HF-Energy: -10.820093 CCSD(T)-Energy: -10.936769 9 s 0.100143 0.225290 s 0.199361 0.601541 s 0.396881 0.515609 s 0.790095 -0.010167 s 1.572891 -0.996102 s 3.131250 0.588717 s 6.233573 -0.152415 s 12.409558 0.028000 s 24.704472 -0.003759 1 s 0.126317 1.000000 1 s 0.348625 1.000000 9 p 0.053678 0.126224 p 0.104254 0.308300 p 0.202485 0.458455 p 0.393270 0.283998 p 0.763818 0.007241 p 1.483503 -0.319237 p 2.881292 0.136193 p 5.596107 -0.024849 p 10.868879 0.002680 1 p 0.505772 1.000000 1 p 0.098494 1.000000 1 d 0.251072 1.000000 1 d 0.812390 1.000000 1 f 0.303469 1.000000'); INSERT INTO "data_tab" VALUES(2,'Rn','Element Symbol: Rn Basis-namevdz: vdz HF-Energy: -14.624183 CCSD(T)-Energy: -14.692789 9 s 0.107979 0.206817 s 0.216651 0.608890 s 0.434692 0.544015 s 0.872173 -0.082252 s 1.749941 -0.878709 s 3.511108 0.506465 s 7.044740 -0.124315 s 14.134673 0.021988 s 28.360021 -0.002930 1 s 0.459987 1.000000 9 p 0.061896 0.115991 p 0.119480 0.305963 p 0.230636 0.465939 p 0.445207 0.298902 p 0.859401 -0.018422 p 1.658936 -0.304231 p 3.202311 0.129646 p 6.181551 -0.022935 p 11.932499 0.002383 1 p 0.365679 1.000000 1 d 0.226604 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Rn','Element Symbol: Rn Basis-namevtz: vtz HF-Energy: -14.624183 CCSD(T)-Energy: -14.758992 9 s 0.107979 0.206817 s 0.216651 0.608890 s 0.434692 0.544015 s 0.872173 -0.082252 s 1.749941 -0.878709 s 3.511108 0.506465 s 7.044740 -0.124315 s 14.134673 0.021988 s 28.360021 -0.002930 1 s 0.139908 1.000000 1 s 0.407257 1.000000 9 p 0.061896 0.115991 p 0.119480 0.305963 p 0.230636 0.465939 p 0.445207 0.298902 p 0.859401 -0.018422 p 1.658936 -0.304231 p 3.202311 0.129646 p 6.181551 -0.022935 p 11.932499 0.002383 1 p 0.571486 1.000000 1 p 0.116353 1.000000 1 d 0.282444 1.000000 1 d 0.826899 1.000000 1 f 0.343560 1.000000'); INSERT INTO "data_tab" VALUES(2,'H','Element Symbol: H Basis-namevdz: vdz HF-Energy: -0.499045 CCSD(T)-Energy: -0.499045 9 s 0.013000 0.000706 s 0.029900 -0.002119 s 0.068770 0.057693 s 0.158170 0.230695 s 0.363792 0.277612 s 0.836721 0.169833 s 1.924458 0.097443 s 4.426254 0.029966 s 10.180385 -0.000452 1 s 0.170483 1.000000 9 p 0.003000 0.001242 p 0.007800 -0.000913 p 0.020281 -0.000054 p 0.052730 -0.000238 p 0.137097 -0.011530 p 0.356451 -0.018235 p 0.926774 -0.013929 p 2.409612 -0.009395 p 6.264991 -0.000347 '); INSERT INTO "data_tab" VALUES(3,'H','Element Symbol: H Basis-namevtz: vtz HF-Energy: -0.499043 CCSD(T)-Energy: -0.499043 9 s 0.013000 0.000706 s 0.029900 -0.002119 s 0.068770 0.057693 s 0.158170 0.230695 s 0.363792 0.277612 s 0.836721 0.169833 s 1.924458 0.097443 s 4.426254 0.029966 s 10.180385 -0.000452 1 s 0.170654 1.000000 9 p 0.003000 0.001242 p 0.007800 -0.000913 p 0.020281 -0.000054 p 0.052730 -0.000238 p 0.137097 -0.011530 p 0.356451 -0.018235 p 0.926774 -0.013929 p 2.409612 -0.009395 p 6.264991 -0.000347 1 p 0.495357 1.000000 1 d 0.955745 1.000000 '); INSERT INTO "data_tab" VALUES(4,'H','Element Symbol: H Basis-namevqz: vqz HF-Energy: -0.499916 CCSD(T)-Energy: -0.499916 9 s 0.013000 0.000706 s 0.029900 -0.002119 s 0.068770 0.057693 s 0.158170 0.230695 s 0.363792 0.277612 s 0.836721 0.169833 s 1.924458 0.097443 s 4.426254 0.029966 s 10.180385 -0.000452 1 s 0.120599 1.000000 1 s 0.404783 1.000000 1 s 0.715129 1.000000 9 p 0.003000 0.001242 p 0.007800 -0.000913 p 0.020281 -0.000054 p 0.052730 -0.000238 p 0.137097 -0.011530 p 0.356451 -0.018235 p 0.926774 -0.013929 p 2.409612 -0.009395 p 6.264991 -0.000347 1 p 0.774536 1.000000 1 p 0.263038 1.000000 1 d 2.315883 1.000000 1 d 0.636656 1.000000 1 f 1.130819 1.000000 '); INSERT INTO "data_tab" VALUES(5,'H','Element Symbol: H Basis-namev5z: v5z HF-Energy: -0.499905 CCSD(T)-Energy: -0.499905 9 s 0.013000 0.000706 s 0.029900 -0.002119 s 0.068770 0.057693 s 0.158170 0.230695 s 0.363792 0.277612 s 0.836721 0.169833 s 1.924458 0.097443 s 4.426254 0.029966 s 10.180385 -0.000452 1 s 0.122344 1.000000 1 s 0.402892 1.000000 1 s 0.715047 1.000000 1 s 1.379838 1.000000 9 p 0.003000 0.001242 p 0.007800 -0.000913 p 0.020281 -0.000054 p 0.052730 -0.000238 p 0.137097 -0.011530 p 0.356451 -0.018235 p 0.926774 -0.013929 p 2.409612 -0.009395 p 6.264991 -0.000347 1 p 0.784765 1.000000 1 p 0.173606 1.000000 1 p 0.513665 1.000000 1 d 2.917388 1.000000 1 d 0.466379 1.000000 1 d 1.132171 1.000000 1 f 1.649608 1.000000 1 f 0.793185 1.000000 1 g 1.606813 1.000000'); INSERT INTO "data_tab" VALUES(2,'He','Element Symbol: He Basis-namevdz: vdz HF-Energy: -2.861932 CCSD(T)-Energy: -2.878934 9 s 0.077786 0.012425 s 0.161528 0.128251 s 0.335425 0.282221 s 0.696535 0.292427 s 1.446408 0.215025 s 3.003576 0.125450 s 6.237154 0.064912 s 12.951926 0.038892 s 26.895662 0.002531 1 s 0.321750 1.000000 8 p 0.228528 -0.000116 p 0.422019 2.116950 p 0.779333 -2.182954 p 1.439180 1.545850 p 2.657706 -0.879477 p 4.907934 0.469710 p 9.063386 -0.224631 p 16.737180 0.098422 '); INSERT INTO "data_tab" VALUES(3,'He','Element Symbol: He Basis-namevtz: vtz HF-Energy: -2.861932 CCSD(T)-Energy: -2.898728 9 s 0.077786 0.012425 s 0.161528 0.128251 s 0.335425 0.282221 s 0.696535 0.292427 s 1.446408 0.215025 s 3.003576 0.125450 s 6.237154 0.064912 s 12.951926 0.038892 s 26.895662 0.002531 1 s 0.667868 1.000000 1 s 0.224485 1.000000 8 p 0.228528 -0.000116 p 0.422019 2.116950 p 0.779333 -2.182954 p 1.439180 1.545850 p 2.657706 -0.879477 p 4.907934 0.469710 p 9.063386 -0.224631 p 16.737180 0.098422 1 p 1.492028 1.000000 1 d 1.913792 1.000000 '); INSERT INTO "data_tab" VALUES(4,'He','Element Symbol: He Basis-namevqz: vqz HF-Energy: -2.861932 CCSD(T)-Energy: -2.902207 9 s 0.077786 0.012425 s 0.161528 0.128251 s 0.335425 0.282221 s 0.696535 0.292427 s 1.446408 0.215025 s 3.003576 0.125450 s 6.237154 0.064912 s 12.951926 0.038892 s 26.895662 0.002531 1 s 0.937228 1.000000 1 s 1.223567 1.000000 1 s 0.229163 1.000000 8 p 0.228528 -0.000116 p 0.422019 2.116950 p 0.779333 -2.182954 p 1.439180 1.545850 p 2.657706 -0.879477 p 4.907934 0.469710 p 9.063386 -0.224631 p 16.737180 0.098422 1 p 3.888767 1.000000 1 p 1.015492 1.000000 1 d 0.939402 1.000000 1 d 3.054371 1.000000 1 f 1.021427 1.000000 '); INSERT INTO "data_tab" VALUES(5,'He','Element Symbol: He Basis-namev5z: v5z HF-Energy: -2.861932 CCSD(T)-Energy: -2.902789 9 s 0.077786 0.012425 s 0.161528 0.128251 s 0.335425 0.282221 s 0.696535 0.292427 s 1.446408 0.215025 s 3.003576 0.125450 s 6.237154 0.064912 s 12.951926 0.038892 s 26.895662 0.002531 1 s 1.324312 1.000000 1 s 0.876976 1.000000 1 s 0.294075 1.000000 1 s 0.116506 1.000000 8 p 0.228528 -0.000116 p 0.422019 2.116950 p 0.779333 -2.182954 p 1.439180 1.545850 p 2.657706 -0.879477 p 4.907934 0.469710 p 9.063386 -0.224631 p 16.737180 0.098422 1 p 6.741009 1.000000 1 p 2.647340 1.000000 1 p 0.893850 1.000000 1 d 1.842278 1.000000 1 d 2.175208 1.000000 1 d 4.285515 1.000000 1 f 0.749734 1.000000 1 f 1.632074 1.000000 1 g 0.623669 1.000000'); INSERT INTO "data_tab" VALUES(2,'Li','Element Symbol: Li Basis-namevdz: vdz HF-Energy: -0.195611 CCSD(T)-Energy: -0.195611 9 s 0.010125 0.007841 s 0.023437 0.258118 s 0.054251 0.423307 s 0.125581 0.167825 s 0.290697 -0.068332 s 0.672909 -0.119269 s 1.557659 0.007736 s 3.605689 0.003630 s 8.346494 -0.000646 1 s 0.103721 1.000000 9 p 0.018300 -0.005906 p 0.031699 -0.031422 p 0.054908 -0.043628 p 0.095111 -0.016781 p 0.164751 -0.078594 p 0.285379 0.015562 p 0.494330 -0.030830 p 0.856273 0.006185 p 1.483225 -0.008621 1 p 0.070391 1.000000 1 d 0.110720 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Li','Element Symbol: Li Basis-namevtz: vtz HF-Energy: -0.196093 CCSD(T)-Energy: -0.196093 9 s 0.010125 0.007841 s 0.023437 0.258118 s 0.054251 0.423307 s 0.125581 0.167825 s 0.290697 -0.068332 s 0.672909 -0.119269 s 1.557659 0.007736 s 3.605689 0.003630 s 8.346494 -0.000646 1 s 0.026170 1.000000 1 s 0.132259 1.000000 9 p 0.018300 -0.005906 p 0.031699 -0.031422 p 0.054908 -0.043628 p 0.095111 -0.016781 p 0.164751 -0.078594 p 0.285379 0.015562 p 0.494330 -0.030830 p 0.856273 0.006185 p 1.483225 -0.008621 1 p 0.052959 1.000000 1 p 0.110075 1.000000 1 d 0.067795 1.000000 1 d 0.177140 1.000000 1 f 0.180758 1.000000 '); INSERT INTO "data_tab" VALUES(4,'Li','Element Symbol: Li Basis-namevqz: vqz HF-Energy: -0.196307 CCSD(T)-Energy: -0.196307 9 s 0.010125 0.007841 s 0.023437 0.258118 s 0.054251 0.423307 s 0.125581 0.167825 s 0.290697 -0.068332 s 0.672909 -0.119269 s 1.557659 0.007736 s 3.605689 0.003630 s 8.346494 -0.000646 1 s 0.024834 1.000000 1 s 0.109770 1.000000 1 s 0.519693 1.000000 9 p 0.018300 -0.005906 p 0.031699 -0.031422 p 0.054908 -0.043628 p 0.095111 -0.016781 p 0.164751 -0.078594 p 0.285379 0.015562 p 0.494330 -0.030830 p 0.856273 0.006185 p 1.483225 -0.008621 1 p 0.070662 1.000000 1 p 0.115823 1.000000 1 p 0.207505 1.000000 1 d 0.029817 1.000000 1 d 0.089353 1.000000 1 d 0.214990 1.000000 1 f 0.099930 1.000000 1 f 0.240323 1.000000 1 g 0.199570 1.000000 '); INSERT INTO "data_tab" VALUES(5,'Li','Element Symbol: Li Basis-namev5z: v5z HF-Energy: -0.196315 CCSD(T)-Energy: -0.196315 9 s 0.010125 0.007841 s 0.023437 0.258118 s 0.054251 0.423307 s 0.125581 0.167825 s 0.290697 -0.068332 s 0.672909 -0.119269 s 1.557659 0.007736 s 3.605689 0.003630 s 8.346494 -0.000646 1 s 0.025010 1.000000 1 s 0.104917 1.000000 1 s 0.670681 1.000000 1 s 1.004881 1.000000 9 p 0.018300 -0.005906 p 0.031699 -0.031422 p 0.054908 -0.043628 p 0.095111 -0.016781 p 0.164751 -0.078594 p 0.285379 0.015562 p 0.494330 -0.030830 p 0.856273 0.006185 p 1.483225 -0.008621 1 p 0.081041 1.000000 1 p 0.138470 1.000000 1 p 0.404355 1.000000 1 p 0.806184 1.000000 1 d 0.065574 1.000000 1 d 0.835758 1.000000 1 d 0.161784 1.000000 1 d 0.986350 1.000000 1 f 0.152988 1.000000 1 f 0.420698 1.000000 1 f 0.856748 1.000000 1 g 0.254479 1.000000 1 g 0.457496 1.000000'); INSERT INTO "data_tab" VALUES(2,'Be','Element Symbol: Be Basis-namevdz: vdz HF-Energy: -0.956838 CCSD(T)-Energy: -1.000525 9 s 0.030068 0.025105 s 0.054002 0.178890 s 0.096986 0.263939 s 0.174186 0.435946 s 0.312836 -0.008188 s 0.561850 0.049509 s 1.009077 -0.114576 s 1.812290 -0.067207 s 3.254852 0.017250 1 s 0.239392 1.000000 9 p 0.015064 0.735052 p 0.028584 -0.476214 p 0.054236 0.564806 p 0.102911 -0.108575 p 0.195269 0.233862 p 0.370513 -0.009003 p 0.703030 0.067510 p 1.333967 -0.002868 p 2.531139 0.017869 1 p 0.222969 1.000000 1 d 0.217340 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Be','Element Symbol: Be Basis-namevtz: vtz HF-Energy: -0.961729 CCSD(T)-Energy: -1.008436 9 s 0.030068 0.025105 s 0.054002 0.178890 s 0.096986 0.263939 s 0.174186 0.435946 s 0.312836 -0.008188 s 0.561850 0.049509 s 1.009077 -0.114576 s 1.812290 -0.067207 s 3.254852 0.017250 1 s 0.060913 1.000000 1 s 0.357735 1.000000 9 p 0.015064 0.735052 p 0.028584 -0.476214 p 0.054236 0.564806 p 0.102911 -0.108575 p 0.195269 0.233862 p 0.370513 -0.009003 p 0.703030 0.067510 p 1.333967 -0.002868 p 2.531139 0.017869 1 p 0.728274 1.000000 1 p 0.165173 1.000000 1 d 0.113241 1.000000 1 d 0.305198 1.000000 1 f 0.272841 1.000000 '); INSERT INTO "data_tab" VALUES(4,'Be','Element Symbol: Be Basis-namevqz: vqz HF-Energy: -0.961844 CCSD(T)-Energy: -1.009630 9 s 0.030068 0.025105 s 0.054002 0.178890 s 0.096986 0.263939 s 0.174186 0.435946 s 0.312836 -0.008188 s 0.561850 0.049509 s 1.009077 -0.114576 s 1.812290 -0.067207 s 3.254852 0.017250 1 s 0.012287 1.000000 1 s 0.175341 1.000000 1 s 1.244398 1.000000 9 p 0.015064 0.735052 p 0.028584 -0.476214 p 0.054236 0.564806 p 0.102911 -0.108575 p 0.195269 0.233862 p 0.370513 -0.009003 p 0.703030 0.067510 p 1.333967 -0.002868 p 2.531139 0.017869 1 p 0.317061 1.000000 1 p 1.585739 1.000000 1 p 0.108346 1.000000 1 d 0.125228 1.000000 1 d 0.801065 1.000000 1 d 0.301656 1.000000 1 f 0.153439 1.000000 1 f 0.377536 1.000000 1 g 0.338801 1.000000 '); INSERT INTO "data_tab" VALUES(5,'Be','Element Symbol: Be Basis-namev5z: v5z HF-Energy: -0.961942 CCSD(T)-Energy: -1.009970 9 s 0.030068 0.025105 s 0.054002 0.178890 s 0.096986 0.263939 s 0.174186 0.435946 s 0.312836 -0.008188 s 0.561850 0.049509 s 1.009077 -0.114576 s 1.812290 -0.067207 s 3.254852 0.017250 1 s 0.012778 1.000000 1 s 0.108807 1.000000 1 s 0.216157 1.000000 1 s 1.207279 1.000000 9 p 0.015064 0.735052 p 0.028584 -0.476214 p 0.054236 0.564806 p 0.102911 -0.108575 p 0.195269 0.233862 p 0.370513 -0.009003 p 0.703030 0.067510 p 1.333967 -0.002868 p 2.531139 0.017869 1 p 0.072561 1.000000 1 p 0.501715 1.000000 1 p 0.184471 1.000000 1 p 2.128672 1.000000 1 d 0.090175 1.000000 1 d 0.743653 1.000000 1 d 0.238494 1.000000 1 d 0.933001 1.000000 1 f 0.129140 1.000000 1 f 0.299150 1.000000 1 f 0.739023 1.000000 1 g 0.316080 1.000000 1 g 0.863442 1.000000 1 h 0.409080 1.000000'); INSERT INTO "data_tab" VALUES(2,'B','Element Symbol: B Basis-namevdz: vdz HF-Energy: -2.543713 CCSD(T)-Energy: -2.608984 9 s 0.040569 0.032031 s 0.081044 0.243317 s 0.161898 0.434636 s 0.323418 0.329581 s 0.646080 0.111875 s 1.290648 -0.078699 s 2.578276 -0.098781 s 5.150520 0.016164 s 10.288990 -0.000016 1 s 0.082513 1.000000 9 p 0.029207 0.019909 p 0.058408 0.141775 p 0.116803 0.294463 p 0.233582 0.309028 p 0.467115 0.236378 p 0.934132 0.131317 p 1.868068 0.066454 p 3.735743 0.021248 p 7.470701 0.002837 1 p 0.086803 1.000000 1 d 0.349879 1.000000 '); INSERT INTO "data_tab" VALUES(3,'B','Element Symbol: B Basis-namevtz: vtz HF-Energy: -2.543736 CCSD(T)-Energy: -2.617159 9 s 0.040569 0.032031 s 0.081044 0.243317 s 0.161898 0.434636 s 0.323418 0.329581 s 0.646080 0.111875 s 1.290648 -0.078699 s 2.578276 -0.098781 s 5.150520 0.016164 s 10.288990 -0.000016 1 s 0.626026 1.000000 1 s 0.092094 1.000000 9 p 0.029207 0.019909 p 0.058408 0.141775 p 0.116803 0.294463 p 0.233582 0.309028 p 0.467115 0.236378 p 0.934132 0.131317 p 1.868068 0.066454 p 3.735743 0.021248 p 7.470701 0.002837 1 p 0.082056 1.000000 1 p 0.235016 1.000000 1 d 0.207316 1.000000 1 d 0.699153 1.000000 1 f 0.478872 1.000000 '); INSERT INTO "data_tab" VALUES(4,'B','Element Symbol: B Basis-namevqz: vqz HF-Energy: -2.543755 CCSD(T)-Energy: -2.618972 9 s 0.040569 0.032031 s 0.081044 0.243317 s 0.161898 0.434636 s 0.323418 0.329581 s 0.646080 0.111875 s 1.290648 -0.078699 s 2.578276 -0.098781 s 5.150520 0.016164 s 10.288990 -0.000016 1 s 0.082968 1.000000 1 s 0.305133 1.000000 1 s 0.422217 1.000000 9 p 0.029207 0.019909 p 0.058408 0.141775 p 0.116803 0.294463 p 0.233582 0.309028 p 0.467115 0.236378 p 0.934132 0.131317 p 1.868068 0.066454 p 3.735743 0.021248 p 7.470701 0.002837 1 p 0.066445 1.000000 1 p 0.196614 1.000000 1 p 0.447031 1.000000 1 d 0.149100 1.000000 1 d 0.410733 1.000000 1 d 1.142614 1.000000 1 f 0.315902 1.000000 1 f 0.870011 1.000000 1 g 0.710746 1.000000 '); INSERT INTO "data_tab" VALUES(5,'B','Element Symbol: B Basis-namev5z: v5z HF-Energy: -2.543756 CCSD(T)-Energy: -2.619409 9 s 0.040569 0.032031 s 0.081044 0.243317 s 0.161898 0.434636 s 0.323418 0.329581 s 0.646080 0.111875 s 1.290648 -0.078699 s 2.578276 -0.098781 s 5.150520 0.016164 s 10.288990 -0.000016 1 s 0.070664 1.000000 1 s 0.170896 1.000000 1 s 0.375720 1.000000 1 s 0.614105 1.000000 9 p 0.029207 0.019909 p 0.058408 0.141775 p 0.116803 0.294463 p 0.233582 0.309028 p 0.467115 0.236378 p 0.934132 0.131317 p 1.868068 0.066454 p 3.735743 0.021248 p 7.470701 0.002837 1 p 0.057917 1.000000 1 p 0.143772 1.000000 1 p 0.436327 1.000000 1 p 0.566611 1.000000 1 d 0.134838 1.000000 1 d 0.380163 1.000000 1 d 0.808233 1.000000 1 d 1.022256 1.000000 1 f 0.272717 1.000000 1 f 0.799174 1.000000 1 f 1.002171 1.000000 1 g 0.486131 1.000000 1 g 0.824366 1.000000 1 h 0.632779 1.000000'); INSERT INTO "data_tab" VALUES(2,'C','Element Symbol: C Basis-namevdz: vdz HF-Energy: -5.328990 CCSD(T)-Energy: -5.409230 9 s 0.051344 0.013991 s 0.102619 0.169852 s 0.205100 0.397529 s 0.409924 0.380369 s 0.819297 0.180113 s 1.637494 -0.033512 s 3.272791 -0.121499 s 6.541187 0.015176 s 13.073594 -0.000705 1 s 0.127852 1.000000 9 p 0.029281 0.001787 p 0.058547 0.050426 p 0.117063 0.191634 p 0.234064 0.302667 p 0.468003 0.289868 p 0.935757 0.210979 p 1.871016 0.112024 p 3.741035 0.054425 p 7.480076 0.021931 1 p 0.149161 1.000000 1 d 0.561161 1.000000 '); INSERT INTO "data_tab" VALUES(3,'C','Element Symbol: C Basis-namevtz: vtz HF-Energy: -5.329011 CCSD(T)-Energy: -5.427351 9 s 0.051344 0.013991 s 0.102619 0.169852 s 0.205100 0.397529 s 0.409924 0.380369 s 0.819297 0.180113 s 1.637494 -0.033512 s 3.272791 -0.121499 s 6.541187 0.015176 s 13.073594 -0.000705 1 s 0.921552 1.000000 1 s 0.132800 1.000000 9 p 0.029281 0.001787 p 0.058547 0.050426 p 0.117063 0.191634 p 0.234064 0.302667 p 0.468003 0.289868 p 0.935757 0.210979 p 1.871016 0.112024 p 3.741035 0.054425 p 7.480076 0.021931 1 p 0.126772 1.000000 1 p 0.376742 1.000000 1 d 0.329486 1.000000 1 d 1.141611 1.000000 1 f 0.773485 1.000000 '); INSERT INTO "data_tab" VALUES(4,'C','Element Symbol: C Basis-namevqz: vqz HF-Energy: -5.329029 CCSD(T)-Energy: -5.431486 9 s 0.051344 0.013991 s 0.102619 0.169852 s 0.205100 0.397529 s 0.409924 0.380369 s 0.819297 0.180113 s 1.637494 -0.033512 s 3.272791 -0.121499 s 6.541187 0.015176 s 13.073594 -0.000705 1 s 0.109576 1.000000 1 s 0.846879 1.000000 1 s 0.269659 1.000000 9 p 0.029281 0.001787 p 0.058547 0.050426 p 0.117063 0.191634 p 0.234064 0.302667 p 0.468003 0.289868 p 0.935757 0.210979 p 1.871016 0.112024 p 3.741035 0.054425 p 7.480076 0.021931 1 p 0.105389 1.000000 1 p 0.313254 1.000000 1 p 0.804681 1.000000 1 d 0.240171 1.000000 1 d 0.684884 1.000000 1 d 2.013760 1.000000 1 f 0.457302 1.000000 1 f 1.324930 1.000000 1 g 1.034180 1.000000 '); INSERT INTO "data_tab" VALUES(5,'C','Element Symbol: C Basis-namev5z: v5z HF-Energy: -5.329030 CCSD(T)-Energy: -5.432494 9 s 0.051344 0.013991 s 0.102619 0.169852 s 0.205100 0.397529 s 0.409924 0.380369 s 0.819297 0.180113 s 1.637494 -0.033512 s 3.272791 -0.121499 s 6.541187 0.015176 s 13.073594 -0.000705 1 s 0.098302 1.000000 1 s 0.232034 1.000000 1 s 0.744448 1.000000 1 s 1.009914 1.000000 9 p 0.029281 0.001787 p 0.058547 0.050426 p 0.117063 0.191634 p 0.234064 0.302667 p 0.468003 0.289868 p 0.935757 0.210979 p 1.871016 0.112024 p 3.741035 0.054425 p 7.480076 0.021931 1 p 0.084047 1.000000 1 p 0.216618 1.000000 1 p 0.576869 1.000000 1 p 1.006252 1.000000 1 d 0.206619 1.000000 1 d 0.606933 1.000000 1 d 1.001526 1.000000 1 d 1.504882 1.000000 1 f 0.400573 1.000000 1 f 1.099564 1.000000 1 f 1.501091 1.000000 1 g 0.797648 1.000000 1 g 1.401343 1.000000 1 h 1.001703 1.000000'); INSERT INTO "data_tab" VALUES(2,'N','Element Symbol: N Basis-namevdz: vdz HF-Energy: -9.668376 CCSD(T)-Energy: -9.760290 9 s 0.098869 0.067266 s 0.211443 0.334290 s 0.452197 0.454257 s 0.967080 0.267861 s 2.068221 0.000248 s 4.423150 -0.132606 s 9.459462 0.014437 s 20.230246 0.000359 s 43.264919 -0.000094 1 s 0.175123 1.000000 9 p 0.073234 0.035758 p 0.145867 0.153945 p 0.290535 0.277656 p 0.578683 0.297676 p 1.152612 0.234403 p 2.295756 0.140321 p 4.572652 0.067219 p 9.107739 0.031594 p 18.140657 0.003301 1 p 0.223042 1.000000 1 d 0.832058 1.000000 '); INSERT INTO "data_tab" VALUES(3,'N','Element Symbol: N Basis-namevtz: vtz HF-Energy: -9.668376 CCSD(T)-Energy: -9.790402 9 s 0.098869 0.067266 s 0.211443 0.334290 s 0.452197 0.454257 s 0.967080 0.267861 s 2.068221 0.000248 s 4.423150 -0.132606 s 9.459462 0.014437 s 20.230246 0.000359 s 43.264919 -0.000094 1 s 1.202183 1.000000 1 s 0.163243 1.000000 9 p 0.073234 0.035758 p 0.145867 0.153945 p 0.290535 0.277656 p 0.578683 0.297676 p 1.152612 0.234403 p 2.295756 0.140321 p 4.572652 0.067219 p 9.107739 0.031594 p 18.140657 0.003301 1 p 0.170104 1.000000 1 p 0.517547 1.000000 1 d 0.483567 1.000000 1 d 1.712416 1.000000 1 f 1.093097 1.000000 '); INSERT INTO "data_tab" VALUES(4,'N','Element Symbol: N Basis-namevqz: vqz HF-Energy: -9.668376 CCSD(T)-Energy: -9.797800 9 s 0.098869 0.067266 s 0.211443 0.334290 s 0.452197 0.454257 s 0.967080 0.267861 s 2.068221 0.000248 s 4.423150 -0.132606 s 9.459462 0.014437 s 20.230246 0.000359 s 43.264919 -0.000094 1 s 0.135764 1.000000 1 s 0.310826 1.000000 1 s 1.625001 1.000000 9 p 0.073234 0.035758 p 0.145867 0.153945 p 0.290535 0.277656 p 0.578683 0.297676 p 1.152612 0.234403 p 2.295756 0.140321 p 4.572652 0.067219 p 9.107739 0.031594 p 18.140657 0.003301 1 p 0.140736 1.000000 1 p 0.413103 1.000000 1 p 1.020750 1.000000 1 d 0.346233 1.000000 1 d 1.009895 1.000000 1 d 3.028459 1.000000 1 f 0.691129 1.000000 1 f 2.024747 1.000000 1 g 1.357512 1.000000 '); INSERT INTO "data_tab" VALUES(5,'N','Element Symbol: N Basis-namev5z: v5z HF-Energy: -9.668376 CCSD(T)-Energy: -9.799731 9 s 0.098869 0.067266 s 0.211443 0.334290 s 0.452197 0.454257 s 0.967080 0.267861 s 2.068221 0.000248 s 4.423150 -0.132606 s 9.459462 0.014437 s 20.230246 0.000359 s 43.264919 -0.000094 1 s 0.115320 1.000000 1 s 0.286632 1.000000 1 s 0.702011 1.000000 1 s 1.532221 1.000000 9 p 0.073234 0.035758 p 0.145867 0.153945 p 0.290535 0.277656 p 0.578683 0.297676 p 1.152612 0.234403 p 2.295756 0.140321 p 4.572652 0.067219 p 9.107739 0.031594 p 18.140657 0.003301 1 p 0.120601 1.000000 1 p 0.322697 1.000000 1 p 0.978538 1.000000 1 p 1.272759 1.000000 1 d 0.305579 1.000000 1 d 0.891436 1.000000 1 d 1.542532 1.000000 1 d 2.798122 1.000000 1 f 0.587676 1.000000 1 f 1.592967 1.000000 1 f 2.443045 1.000000 1 g 1.038637 1.000000 1 g 2.842018 1.000000 1 h 2.272542 1.000000'); INSERT INTO "data_tab" VALUES(2,'O','Element Symbol: O Basis-namevdz: vdz HF-Energy: -15.705942 CCSD(T)-Energy: -15.829790 9 s 0.125346 0.055741 s 0.268022 0.304848 s 0.573098 0.453752 s 1.225429 0.295926 s 2.620277 0.019567 s 5.602818 -0.128627 s 11.980245 0.012024 s 25.616801 0.000407 s 54.775216 -0.000076 1 s 0.258551 1.000000 9 p 0.083598 0.044958 p 0.167017 0.150175 p 0.333673 0.255999 p 0.666627 0.281879 p 1.331816 0.242835 p 2.660761 0.161134 p 5.315785 0.082308 p 10.620108 0.039899 p 21.217318 0.004679 1 p 0.267865 1.000000 1 d 1.232753 1.000000 '); INSERT INTO "data_tab" VALUES(3,'O','Element Symbol: O Basis-namevtz: vtz HF-Energy: -15.708001 CCSD(T)-Energy: -15.882045 9 s 0.125346 0.055741 s 0.268022 0.304848 s 0.573098 0.453752 s 1.225429 0.295926 s 2.620277 0.019567 s 5.602818 -0.128627 s 11.980245 0.012024 s 25.616801 0.000407 s 54.775216 -0.000076 1 s 1.686633 1.000000 1 s 0.237997 1.000000 9 p 0.083598 0.044958 p 0.167017 0.150175 p 0.333673 0.255999 p 0.666627 0.281879 p 1.331816 0.242835 p 2.660761 0.161134 p 5.315785 0.082308 p 10.620108 0.039899 p 21.217318 0.004679 1 p 0.184696 1.000000 1 p 0.600621 1.000000 1 d 0.669340 1.000000 1 d 2.404278 1.000000 1 f 1.423104 1.000000 '); INSERT INTO "data_tab" VALUES(4,'O','Element Symbol: O Basis-namevqz: vqz HF-Energy: -15.708382 CCSD(T)-Energy: -15.897021 9 s 0.125346 0.055741 s 0.268022 0.304848 s 0.573098 0.453752 s 1.225429 0.295926 s 2.620277 0.019567 s 5.602818 -0.128627 s 11.980245 0.012024 s 25.616801 0.000407 s 54.775216 -0.000076 1 s 0.224380 1.000000 1 s 0.843157 1.000000 1 s 1.351771 1.000000 9 p 0.083598 0.044958 p 0.167017 0.150175 p 0.333673 0.255999 p 0.666627 0.281879 p 1.331816 0.242835 p 2.660761 0.161134 p 5.315785 0.082308 p 10.620108 0.039899 p 21.217318 0.004679 1 p 0.148562 1.000000 1 p 0.452364 1.000000 1 p 1.106737 1.000000 1 d 0.455711 1.000000 1 d 1.344331 1.000000 1 d 4.008867 1.000000 1 f 0.876289 1.000000 1 f 2.763115 1.000000 1 g 1.759081 1.000000 '); INSERT INTO "data_tab" VALUES(5,'O','Element Symbol: O Basis-namev5z: v5z HF-Energy: -15.708447 CCSD(T)-Energy: -15.901660 9 s 0.125346 0.055741 s 0.268022 0.304848 s 0.573098 0.453752 s 1.225429 0.295926 s 2.620277 0.019567 s 5.602818 -0.128627 s 11.980245 0.012024 s 25.616801 0.000407 s 54.775216 -0.000076 1 s 0.160664 1.000000 1 s 0.384526 1.000000 1 s 0.935157 1.000000 1 s 1.937532 1.000000 9 p 0.083598 0.044958 p 0.167017 0.150175 p 0.333673 0.255999 p 0.666627 0.281879 p 1.331816 0.242835 p 2.660761 0.161134 p 5.315785 0.082308 p 10.620108 0.039899 p 21.217318 0.004679 1 p 0.130580 1.000000 1 p 0.372674 1.000000 1 p 1.178227 1.000000 1 p 1.589967 1.000000 1 d 0.401152 1.000000 1 d 1.174596 1.000000 1 d 2.823972 1.000000 1 d 4.292433 1.000000 1 f 0.708666 1.000000 1 f 2.006788 1.000000 1 f 3.223721 1.000000 1 g 1.207657 1.000000 1 g 3.584495 1.000000 1 h 2.615818 1.000000'); INSERT INTO "data_tab" VALUES(2,'F','Element Symbol: F Basis-namevdz: vdz HF-Energy: -23.937019 CCSD(T)-Energy: -24.092506 9 s 0.172723 0.070240 s 0.364875 0.311088 s 0.770795 0.444675 s 1.628295 0.287011 s 3.439757 0.018759 s 7.266451 -0.128608 s 15.350300 0.009104 s 32.427348 0.000810 s 68.502433 -0.000133 1 s 0.344569 1.000000 9 p 0.101001 0.035321 p 0.204414 0.136924 p 0.413707 0.249353 p 0.837289 0.286620 p 1.694565 0.254541 p 3.429580 0.169572 p 6.941026 0.088542 p 14.047737 0.039843 p 28.430799 0.003378 1 p 0.364831 1.000000 1 d 1.722479 1.000000 '); INSERT INTO "data_tab" VALUES(3,'F','Element Symbol: F Basis-namevtz: vtz HF-Energy: -23.938224 CCSD(T)-Energy: -24.163204 9 s 0.172723 0.070240 s 0.364875 0.311088 s 0.770795 0.444675 s 1.628295 0.287011 s 3.439757 0.018759 s 7.266451 -0.128608 s 15.350300 0.009104 s 32.427348 0.000810 s 68.502433 -0.000133 1 s 2.289795 1.000000 1 s 0.327712 1.000000 9 p 0.101001 0.035321 p 0.204414 0.136924 p 0.413707 0.249353 p 0.837289 0.286620 p 1.694565 0.254541 p 3.429580 0.169572 p 6.941026 0.088542 p 14.047737 0.039843 p 28.430799 0.003378 1 p 0.243660 1.000000 1 p 0.804181 1.000000 1 d 0.900763 1.000000 1 d 3.297425 1.000000 1 f 1.859274 1.000000 '); INSERT INTO "data_tab" VALUES(4,'F','Element Symbol: F Basis-namevqz: vqz HF-Energy: -23.938443 CCSD(T)-Energy: -24.185741 9 s 0.172723 0.070240 s 0.364875 0.311088 s 0.770795 0.444675 s 1.628295 0.287011 s 3.439757 0.018759 s 7.266451 -0.128608 s 15.350300 0.009104 s 32.427348 0.000810 s 68.502433 -0.000133 1 s 0.294345 1.000000 1 s 1.048012 1.000000 1 s 1.705653 1.000000 9 p 0.101001 0.035321 p 0.204414 0.136924 p 0.413707 0.249353 p 0.837289 0.286620 p 1.694565 0.254541 p 3.429580 0.169572 p 6.941026 0.088542 p 14.047737 0.039843 p 28.430799 0.003378 1 p 0.205805 1.000000 1 p 0.647240 1.000000 1 p 1.650688 1.000000 1 d 0.587354 1.000000 1 d 1.724392 1.000000 1 d 4.998085 1.000000 1 f 1.178147 1.000000 1 f 3.694285 1.000000 1 g 2.406583 1.000000 '); INSERT INTO "data_tab" VALUES(5,'F','Element Symbol: F Basis-namev5z: v5z HF-Energy: -23.938492 CCSD(T)-Energy: -24.192900 9 s 0.172723 0.070240 s 0.364875 0.311088 s 0.770795 0.444675 s 1.628295 0.287011 s 3.439757 0.018759 s 7.266451 -0.128608 s 15.350300 0.009104 s 32.427348 0.000810 s 68.502433 -0.000133 1 s 0.191146 1.000000 1 s 0.459697 1.000000 1 s 1.250265 1.000000 1 s 2.542428 1.000000 9 p 0.101001 0.035321 p 0.204414 0.136924 p 0.413707 0.249353 p 0.837289 0.286620 p 1.694565 0.254541 p 3.429580 0.169572 p 6.941026 0.088542 p 14.047737 0.039843 p 28.430799 0.003378 1 p 0.170574 1.000000 1 p 0.489019 1.000000 1 p 1.505085 1.000000 1 p 2.018698 1.000000 1 d 0.517711 1.000000 1 d 1.523306 1.000000 1 d 3.901897 1.000000 1 d 5.603581 1.000000 1 f 0.981494 1.000000 1 f 2.950321 1.000000 1 f 4.297889 1.000000 1 g 1.638933 1.000000 1 g 4.619953 1.000000 1 h 2.963127 1.000000'); INSERT INTO "data_tab" VALUES(2,'Ne','Element Symbol: Ne Basis-namevdz: vdz HF-Energy: -34.709059 CCSD(T)-Energy: -34.900305 9 s 0.205835 0.057514 s 0.391384 0.215776 s 0.744196 0.374799 s 1.415048 0.326313 s 2.690638 0.166383 s 5.116103 -0.039149 s 9.727994 -0.085909 s 18.497256 0.006816 s 35.171534 0.000206 1 s 0.455383 1.000000 9 p 0.121772 0.029943 p 0.238248 0.114200 p 0.466136 0.219618 p 0.912002 0.268864 p 1.784344 0.256932 p 3.491095 0.191378 p 6.830378 0.112176 p 13.363732 0.063317 p 26.146332 0.008057 1 p 0.472224 1.000000 1 d 2.371533 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Ne','Element Symbol: Ne Basis-namevtz: vtz HF-Energy: -34.709059 CCSD(T)-Energy: -34.976232 9 s 0.205835 0.057514 s 0.391384 0.215776 s 0.744196 0.374799 s 1.415048 0.326313 s 2.690638 0.166383 s 5.116103 -0.039149 s 9.727994 -0.085909 s 18.497256 0.006816 s 35.171534 0.000206 1 s 0.317767 1.000000 1 s 0.534557 1.000000 9 p 0.121772 0.029943 p 0.238248 0.114200 p 0.466136 0.219618 p 0.912002 0.268864 p 1.784344 0.256932 p 3.491095 0.191378 p 6.830378 0.112176 p 13.363732 0.063317 p 26.146332 0.008057 1 p 0.294665 1.000000 1 p 0.962126 1.000000 1 d 1.134063 1.000000 1 d 4.161437 1.000000 1 f 2.556751 1.000000 '); INSERT INTO "data_tab" VALUES(4,'Ne','Element Symbol: Ne Basis-namevqz: vqz HF-Energy: -34.709059 CCSD(T)-Energy: -35.017566 9 s 0.205835 0.057514 s 0.391384 0.215776 s 0.744196 0.374799 s 1.415048 0.326313 s 2.690638 0.166383 s 5.116103 -0.039149 s 9.727994 -0.085909 s 18.497256 0.006816 s 35.171534 0.000206 1 s 0.399186 1.000000 1 s 1.658402 1.000000 1 s 2.261159 1.000000 9 p 0.121772 0.029943 p 0.238248 0.114200 p 0.466136 0.219618 p 0.912002 0.268864 p 1.784344 0.256932 p 3.491095 0.191378 p 6.830378 0.112176 p 13.363732 0.063317 p 26.146332 0.008057 1 p 0.245215 1.000000 1 p 0.757342 1.000000 1 p 1.938376 1.000000 1 d 0.738131 1.000000 1 d 2.188751 1.000000 1 d 6.170224 1.000000 1 f 1.589986 1.000000 1 f 4.849402 1.000000 1 g 3.228793 1.000000 '); INSERT INTO "data_tab" VALUES(5,'Ne','Element Symbol: Ne Basis-namev5z: v5z HF-Energy: -34.709059 CCSD(T)-Energy: -35.027534 9 s 0.205835 0.057514 s 0.391384 0.215776 s 0.744196 0.374799 s 1.415048 0.326313 s 2.690638 0.166383 s 5.116103 -0.039149 s 9.727994 -0.085909 s 18.497256 0.006816 s 35.171534 0.000206 1 s 0.318678 1.000000 1 s 0.830178 1.000000 1 s 1.591904 1.000000 1 s 2.744999 1.000000 9 p 0.121772 0.029943 p 0.238248 0.114200 p 0.466136 0.219618 p 0.912002 0.268864 p 1.784344 0.256932 p 3.491095 0.191378 p 6.830378 0.112176 p 13.363732 0.063317 p 26.146332 0.008057 1 p 0.218226 1.000000 1 p 0.636921 1.000000 1 p 1.888191 1.000000 1 p 3.020108 1.000000 1 d 0.654924 1.000000 1 d 1.931502 1.000000 1 d 5.027566 1.000000 1 d 6.989700 1.000000 1 f 1.314297 1.000000 1 f 4.065928 1.000000 1 f 5.587487 1.000000 1 g 2.070925 1.000000 1 g 6.073107 1.000000 1 h 3.743118 1.000000'); INSERT INTO "data_tab" VALUES(2,'Na','Element Symbol: Na Basis-namevdz: vdz HF-Energy: -0.174227 CCSD(T)-Energy: -0.174227 9 s 0.013061 0.200118 s 0.030041 0.467652 s 0.069092 0.227738 s 0.158908 -0.061581 s 0.365481 -0.137533 s 0.840589 0.003323 s 1.933315 0.003741 s 4.446533 -0.001117 s 10.226816 0.000244 1 s 0.865135 1.000000 9 p 0.002593 -0.002840 p 0.006741 0.005340 p 0.017525 -0.025936 p 0.045563 -0.053466 p 0.118461 -0.053691 p 0.307987 0.014439 p 0.800738 0.006199 p 2.081847 -0.001026 p 5.412617 0.000168 1 p 0.106025 1.000000 1 d 0.050790 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Na','Element Symbol: Na Basis-namevtz: vtz HF-Energy: -0.181799 CCSD(T)-Energy: -0.181799 9 s 0.013061 0.200118 s 0.030041 0.467652 s 0.069092 0.227738 s 0.158908 -0.061581 s 0.365481 -0.137533 s 0.840589 0.003323 s 1.933315 0.003741 s 4.446533 -0.001117 s 10.226816 0.000244 1 s 0.067854 1.000000 1 s 0.550451 1.000000 9 p 0.002593 -0.002840 p 0.006741 0.005340 p 0.017525 -0.025936 p 0.045563 -0.053466 p 0.118461 -0.053691 p 0.307987 0.014439 p 0.800738 0.006199 p 2.081847 -0.001026 p 5.412617 0.000168 1 p 0.089406 1.000000 1 p 0.619273 1.000000 1 d 0.086920 1.000000 1 d 0.693014 1.000000 1 f 0.132402 1.000000 '); INSERT INTO "data_tab" VALUES(4,'Na','Element Symbol: Na Basis-namevqz: vqz HF-Energy: -0.181980 CCSD(T)-Energy: -0.181980 9 s 0.013061 0.200118 s 0.030041 0.467652 s 0.069092 0.227738 s 0.158908 -0.061581 s 0.365481 -0.137533 s 0.840589 0.003323 s 1.933315 0.003741 s 4.446533 -0.001117 s 10.226816 0.000244 1 s 0.064915 1.000000 1 s 1.134458 1.000000 1 s 0.771046 1.000000 9 p 0.002593 -0.002840 p 0.006741 0.005340 p 0.017525 -0.025936 p 0.045563 -0.053466 p 0.118461 -0.053691 p 0.307987 0.014439 p 0.800738 0.006199 p 2.081847 -0.001026 p 5.412617 0.000168 1 p 0.059662 1.000000 1 p 0.096714 1.000000 1 p 0.552976 1.000000 1 d 0.046917 1.000000 1 d 0.813868 1.000000 1 d 0.127780 1.000000 1 f 0.129992 1.000000 1 f 0.626429 1.000000 1 g 0.588778 1.000000 '); INSERT INTO "data_tab" VALUES(5,'Na','Element Symbol: Na Basis-namev5z: v5z HF-Energy: -0.182034 CCSD(T)-Energy: -0.182034 9 s 0.013061 0.200118 s 0.030041 0.467652 s 0.069092 0.227738 s 0.158908 -0.061581 s 0.365481 -0.137533 s 0.840589 0.003323 s 1.933315 0.003741 s 4.446533 -0.001117 s 10.226816 0.000244 1 s 0.063999 1.000000 1 s 0.414207 1.000000 1 s 0.848058 1.000000 1 s 1.097178 1.000000 9 p 0.002593 -0.002840 p 0.006741 0.005340 p 0.017525 -0.025936 p 0.045563 -0.053466 p 0.118461 -0.053691 p 0.307987 0.014439 p 0.800738 0.006199 p 2.081847 -0.001026 p 5.412617 0.000168 1 p 0.062027 1.000000 1 p 0.098643 1.000000 1 p 0.404379 1.000000 1 p 0.845826 1.000000 1 d 0.058125 1.000000 1 d 0.824577 1.000000 1 d 0.131674 1.000000 1 d 0.979694 1.000000 1 f 0.112793 1.000000 1 f 0.429471 1.000000 1 f 0.848460 1.000000 1 g 0.285680 1.000000 1 g 0.467702 1.000000'); INSERT INTO "data_tab" VALUES(2,'Mg','Element Symbol: Mg Basis-namevdz: vdz HF-Energy: -0.784324 CCSD(T)-Energy: -0.816857 9 s 0.030975 0.165290 s 0.062959 0.506272 s 0.127970 0.333197 s 0.260111 0.057482 s 0.528700 -0.137614 s 1.074630 -0.135378 s 2.184285 0.048310 s 4.439759 -0.005312 s 9.024217 0.000465 1 s 0.162370 1.000000 9 p 0.047055 1.502038 p 0.083253 -1.433944 p 0.147298 1.318987 p 0.260611 -0.741124 p 0.461094 0.436300 p 0.815803 -0.243798 p 1.443383 0.086774 p 2.553745 -0.028677 p 4.518286 0.006085 1 p 0.121683 1.000000 1 d 0.135526 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Mg','Element Symbol: Mg Basis-namevtz: vtz HF-Energy: -0.784579 CCSD(T)-Energy: -0.819095 9 s 0.030975 0.165290 s 0.062959 0.506272 s 0.127970 0.333197 s 0.260111 0.057482 s 0.528700 -0.137614 s 1.074630 -0.135378 s 2.184285 0.048310 s 4.439759 -0.005312 s 9.024217 0.000465 1 s 0.153453 1.000000 1 s 0.673960 1.000000 9 p 0.047055 1.502038 p 0.083253 -1.433944 p 0.147298 1.318987 p 0.260611 -0.741124 p 0.461094 0.436300 p 0.815803 -0.243798 p 1.443383 0.086774 p 2.553745 -0.028677 p 4.518286 0.006085 1 p 0.126917 1.000000 1 p 1.118965 1.000000 1 d 0.095734 1.000000 1 d 0.274572 1.000000 1 f 0.148519 1.000000 '); INSERT INTO "data_tab" VALUES(4,'Mg','Element Symbol: Mg Basis-namevqz: vqz HF-Energy: -0.784736 CCSD(T)-Energy: -0.819621 9 s 0.030975 0.165290 s 0.062959 0.506272 s 0.127970 0.333197 s 0.260111 0.057482 s 0.528700 -0.137614 s 1.074630 -0.135378 s 2.184285 0.048310 s 4.439759 -0.005312 s 9.024217 0.000465 1 s 0.023378 1.000000 1 s 0.188141 1.000000 1 s 0.616205 1.000000 9 p 0.047055 1.502038 p 0.083253 -1.433944 p 0.147298 1.318987 p 0.260611 -0.741124 p 0.461094 0.436300 p 0.815803 -0.243798 p 1.443383 0.086774 p 2.553745 -0.028677 p 4.518286 0.006085 1 p 0.089167 1.000000 1 p 0.209210 1.000000 1 p 0.846859 1.000000 1 d 0.095526 1.000000 1 d 0.734089 1.000000 1 d 0.233222 1.000000 1 f 0.127025 1.000000 1 f 0.304907 1.000000 1 g 0.192272 1.000000 '); INSERT INTO "data_tab" VALUES(5,'Mg','Element Symbol: Mg Basis-namev5z: v5z HF-Energy: -0.784736 CCSD(T)-Energy: -0.819696 9 s 0.030975 0.165290 s 0.062959 0.506272 s 0.127970 0.333197 s 0.260111 0.057482 s 0.528700 -0.137614 s 1.074630 -0.135378 s 2.184285 0.048310 s 4.439759 -0.005312 s 9.024217 0.000465 1 s 0.023503 1.000000 1 s 0.061201 1.000000 1 s 0.764885 1.000000 1 s 1.054291 1.000000 9 p 0.047055 1.502038 p 0.083253 -1.433944 p 0.147298 1.318987 p 0.260611 -0.741124 p 0.461094 0.436300 p 0.815803 -0.243798 p 1.443383 0.086774 p 2.553745 -0.028677 p 4.518286 0.006085 1 p 0.082386 1.000000 1 p 0.177931 1.000000 1 p 0.385451 1.000000 1 p 0.833239 1.000000 1 d 0.102058 1.000000 1 d 0.815528 1.000000 1 d 0.222855 1.000000 1 d 0.973775 1.000000 1 f 0.141691 1.000000 1 f 0.425441 1.000000 1 f 0.847636 1.000000 1 g 0.171110 1.000000 1 g 0.438459 1.000000 1 h 0.360937 1.000000'); INSERT INTO "data_tab" VALUES(2,'Al','Element Symbol: Al Basis-namevdz: vdz HF-Energy: -1.878786 CCSD(T)-Energy: -1.929382 9 s 0.045518 0.206193 s 0.100308 0.559887 s 0.221051 0.407852 s 0.487132 -0.041098 s 1.073500 -0.238652 s 2.365686 0.038132 s 5.213294 -0.003935 s 11.488606 0.000470 s 25.317597 -0.000014 1 s 0.044024 1.000000 9 p 0.014848 0.009932 p 0.030967 0.160212 p 0.064586 0.389171 p 0.134700 0.373235 p 0.280932 0.195800 p 0.585913 0.022947 p 1.221985 -0.053293 p 2.548578 0.004846 p 5.315330 -0.000726 1 p 0.206631 1.000000 1 d 0.193079 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Al','Element Symbol: Al Basis-namevtz: vtz HF-Energy: -1.878829 CCSD(T)-Energy: -1.936503 9 s 0.045518 0.206193 s 0.100308 0.559887 s 0.221051 0.407852 s 0.487132 -0.041098 s 1.073500 -0.238652 s 2.365686 0.038132 s 5.213294 -0.003935 s 11.488606 0.000470 s 25.317597 -0.000014 1 s 0.064303 1.000000 1 s 0.371009 1.000000 9 p 0.014848 0.009932 p 0.030967 0.160212 p 0.064586 0.389171 p 0.134700 0.373235 p 0.280932 0.195800 p 0.585913 0.022947 p 1.221985 -0.053293 p 2.548578 0.004846 p 5.315330 -0.000726 1 p 0.035607 1.000000 1 p 0.090801 1.000000 1 d 0.115540 1.000000 1 d 0.359082 1.000000 1 f 0.254838 1.000000 '); INSERT INTO "data_tab" VALUES(4,'Al','Element Symbol: Al Basis-namevqz: vqz HF-Energy: -1.878847 CCSD(T)-Energy: -1.937937 9 s 0.045518 0.206193 s 0.100308 0.559887 s 0.221051 0.407852 s 0.487132 -0.041098 s 1.073500 -0.238652 s 2.365686 0.038132 s 5.213294 -0.003935 s 11.488606 0.000470 s 25.317597 -0.000014 1 s 0.058688 1.000000 1 s 0.150215 1.000000 1 s 0.324193 1.000000 9 p 0.014848 0.009932 p 0.030967 0.160212 p 0.064586 0.389171 p 0.134700 0.373235 p 0.280932 0.195800 p 0.585913 0.022947 p 1.221985 -0.053293 p 2.548578 0.004846 p 5.315330 -0.000726 1 p 0.034866 1.000000 1 p 0.403929 1.000000 1 p 0.084117 1.000000 1 d 0.092392 1.000000 1 d 0.245212 1.000000 1 d 0.726318 1.000000 1 f 0.160909 1.000000 1 f 0.409285 1.000000 1 g 0.352027 1.000000 '); INSERT INTO "data_tab" VALUES(5,'Al','Element Symbol: Al Basis-namev5z: v5z HF-Energy: -1.878849 CCSD(T)-Energy: -1.938298 9 s 0.045518 0.206193 s 0.100308 0.559887 s 0.221051 0.407852 s 0.487132 -0.041098 s 1.073500 -0.238652 s 2.365686 0.038132 s 5.213294 -0.003935 s 11.488606 0.000470 s 25.317597 -0.000014 1 s 0.056415 1.000000 1 s 0.155063 1.000000 1 s 0.332041 1.000000 1 s 0.725343 1.000000 9 p 0.014848 0.009932 p 0.030967 0.160212 p 0.064586 0.389171 p 0.134700 0.373235 p 0.280932 0.195800 p 0.585913 0.022947 p 1.221985 -0.053293 p 2.548578 0.004846 p 5.315330 -0.000726 1 p 0.033949 1.000000 1 p 0.083154 1.000000 1 p 0.251360 1.000000 1 p 0.314422 1.000000 1 d 0.088652 1.000000 1 d 0.241216 1.000000 1 d 0.575129 1.000000 1 d 0.989127 1.000000 1 f 0.148598 1.000000 1 f 0.374850 1.000000 1 f 0.781006 1.000000 1 g 0.259548 1.000000 1 g 0.561381 1.000000 1 h 0.328731 1.000000'); INSERT INTO "data_tab" VALUES(2,'Si','Element Symbol: Si Basis-namevdz: vdz HF-Energy: -3.678618 CCSD(T)-Energy: -3.747344 9 s 0.059887 0.167492 s 0.130108 0.532550 s 0.282668 0.464290 s 0.614115 -0.002322 s 1.334205 -0.268234 s 2.898645 0.031921 s 6.297493 -0.000106 s 13.681707 -0.000145 s 29.724387 0.000067 1 s 0.059803 1.000000 9 p 0.036525 0.078761 p 0.076137 0.308331 p 0.158712 0.417773 p 0.330843 0.281676 p 0.689658 0.069876 p 1.437625 -0.056306 p 2.996797 0.000744 p 6.246966 -0.000259 p 13.022097 -0.000022 1 p 0.081570 1.000000 1 d 0.283626 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Si','Element Symbol: Si Basis-namevtz: vtz HF-Energy: -3.678653 CCSD(T)-Energy: -3.762543 9 s 0.059887 0.167492 s 0.130108 0.532550 s 0.282668 0.464290 s 0.614115 -0.002322 s 1.334205 -0.268234 s 2.898645 0.031921 s 6.297493 -0.000106 s 13.681707 -0.000145 s 29.724387 0.000067 1 s 0.090113 1.000000 1 s 0.507467 1.000000 9 p 0.036525 0.078761 p 0.076137 0.308331 p 0.158712 0.417773 p 0.330843 0.281676 p 0.689658 0.069876 p 1.437625 -0.056306 p 2.996797 0.000744 p 6.246966 -0.000259 p 13.022097 -0.000022 1 p 0.056148 1.000000 1 p 0.146758 1.000000 1 d 0.170395 1.000000 1 d 0.539756 1.000000 1 f 0.352999 1.000000 '); INSERT INTO "data_tab" VALUES(4,'Si','Element Symbol: Si Basis-namevqz: vqz HF-Energy: -3.678670 CCSD(T)-Energy: -3.765849 9 s 0.059887 0.167492 s 0.130108 0.532550 s 0.282668 0.464290 s 0.614115 -0.002322 s 1.334205 -0.268234 s 2.898645 0.031921 s 6.297493 -0.000106 s 13.681707 -0.000145 s 29.724387 0.000067 1 s 0.079900 1.000000 1 s 0.206024 1.000000 1 s 0.435017 1.000000 9 p 0.036525 0.078761 p 0.076137 0.308331 p 0.158712 0.417773 p 0.330843 0.281676 p 0.689658 0.069876 p 1.437625 -0.056306 p 2.996797 0.000744 p 6.246966 -0.000259 p 13.022097 -0.000022 1 p 0.054575 1.000000 1 p 0.599112 1.000000 1 p 0.134681 1.000000 1 d 0.133118 1.000000 1 d 0.350967 1.000000 1 d 1.063961 1.000000 1 f 0.211319 1.000000 1 f 0.535932 1.000000 1 g 0.465365 1.000000 '); INSERT INTO "data_tab" VALUES(5,'Si','Element Symbol: Si Basis-namev5z: v5z HF-Energy: -3.678671 CCSD(T)-Energy: -3.766704 9 s 0.059887 0.167492 s 0.130108 0.532550 s 0.282668 0.464290 s 0.614115 -0.002322 s 1.334205 -0.268234 s 2.898645 0.031921 s 6.297493 -0.000106 s 13.681707 -0.000145 s 29.724387 0.000067 1 s 0.075500 1.000000 1 s 0.196459 1.000000 1 s 0.424036 1.000000 1 s 0.920486 1.000000 9 p 0.036525 0.078761 p 0.076137 0.308331 p 0.158712 0.417773 p 0.330843 0.281676 p 0.689658 0.069876 p 1.437625 -0.056306 p 2.996797 0.000744 p 6.246966 -0.000259 p 13.022097 -0.000022 1 p 0.048136 1.000000 1 p 0.115813 1.000000 1 p 0.238594 1.000000 1 p 0.496918 1.000000 1 d 0.127945 1.000000 1 d 0.353096 1.000000 1 d 0.805426 1.000000 1 d 1.247695 1.000000 1 f 0.172876 1.000000 1 f 0.402208 1.000000 1 f 0.833081 1.000000 1 g 0.299885 1.000000 1 g 0.647054 1.000000 1 h 0.557542 1.000000'); INSERT INTO "data_tab" VALUES(2,'P','Element Symbol: P Basis-namevdz: vdz HF-Energy: -6.359075 CCSD(T)-Energy: -6.441694 9 s 0.074718 0.140225 s 0.160834 0.506746 s 0.346202 0.499893 s 0.745215 0.037301 s 1.604109 -0.284591 s 3.452917 0.024766 s 7.432561 0.001798 s 15.998924 -0.000314 s 34.438408 0.000088 1 s 0.077260 1.000000 9 p 0.050242 0.072095 p 0.102391 0.278735 p 0.208669 0.411034 p 0.425256 0.304724 p 0.866651 0.091727 p 1.766191 -0.057060 p 3.599410 -0.005103 p 7.335418 0.000328 p 14.949217 -0.000046 1 p 0.113433 1.000000 1 d 0.390944 1.000000 '); INSERT INTO "data_tab" VALUES(3,'P','Element Symbol: P Basis-namevtz: vtz HF-Energy: -6.359075 CCSD(T)-Energy: -6.468391 9 s 0.074718 0.140225 s 0.160834 0.506746 s 0.346202 0.499893 s 0.745215 0.037301 s 1.604109 -0.284591 s 3.452917 0.024766 s 7.432561 0.001798 s 15.998924 -0.000314 s 34.438408 0.000088 1 s 0.115288 1.000000 1 s 0.646066 1.000000 9 p 0.050242 0.072095 p 0.102391 0.278735 p 0.208669 0.411034 p 0.425256 0.304724 p 0.866651 0.091727 p 1.766191 -0.057060 p 3.599410 -0.005103 p 7.335418 0.000328 p 14.949217 -0.000046 1 p 0.076568 1.000000 1 p 0.200301 1.000000 1 d 0.234543 1.000000 1 d 0.753299 1.000000 1 f 0.468762 1.000000 '); INSERT INTO "data_tab" VALUES(4,'P','Element Symbol: P Basis-namevqz: vqz HF-Energy: -6.359075 CCSD(T)-Energy: -6.474649 9 s 0.074718 0.140225 s 0.160834 0.506746 s 0.346202 0.499893 s 0.745215 0.037301 s 1.604109 -0.284591 s 3.452917 0.024766 s 7.432561 0.001798 s 15.998924 -0.000314 s 34.438408 0.000088 1 s 0.098851 1.000000 1 s 0.255593 1.000000 1 s 0.546057 1.000000 9 p 0.050242 0.072095 p 0.102391 0.278735 p 0.208669 0.411034 p 0.425256 0.304724 p 0.866651 0.091727 p 1.766191 -0.057060 p 3.599410 -0.005103 p 7.335418 0.000328 p 14.949217 -0.000046 1 p 0.074522 1.000000 1 p 0.764539 1.000000 1 p 0.182211 1.000000 1 d 0.186505 1.000000 1 d 0.502400 1.000000 1 d 1.576445 1.000000 1 f 0.280702 1.000000 1 f 0.719161 1.000000 1 g 0.599144 1.000000 '); INSERT INTO "data_tab" VALUES(5,'P','Element Symbol: P Basis-namev5z: v5z HF-Energy: -6.359075 CCSD(T)-Energy: -6.476249 9 s 0.074718 0.140225 s 0.160834 0.506746 s 0.346202 0.499893 s 0.745215 0.037301 s 1.604109 -0.284591 s 3.452917 0.024766 s 7.432561 0.001798 s 15.998924 -0.000314 s 34.438408 0.000088 1 s 0.082092 1.000000 1 s 0.195525 1.000000 1 s 0.434767 1.000000 1 s 1.027573 1.000000 9 p 0.050242 0.072095 p 0.102391 0.278735 p 0.208669 0.411034 p 0.425256 0.304724 p 0.866651 0.091727 p 1.766191 -0.057060 p 3.599410 -0.005103 p 7.335418 0.000328 p 14.949217 -0.000046 1 p 0.074159 1.000000 1 p 0.189382 1.000000 1 p 0.470798 1.000000 1 p 0.815677 1.000000 1 d 0.167800 1.000000 1 d 0.457307 1.000000 1 d 1.021650 1.000000 1 d 1.598720 1.000000 1 f 0.214751 1.000000 1 f 0.482380 1.000000 1 f 0.984966 1.000000 1 g 0.406484 1.000000 1 g 0.924507 1.000000 1 h 0.831913 1.000000'); INSERT INTO "data_tab" VALUES(2,'S','Element Symbol: S Basis-namevdz: vdz HF-Energy: -9.955307 CCSD(T)-Energy: -10.063831 9 s 0.095120 0.140074 s 0.202385 0.490942 s 0.430611 0.515297 s 0.916203 0.050320 s 1.949388 -0.298908 s 4.147674 0.019827 s 8.824926 0.007266 s 18.776623 -0.001602 s 39.950656 0.000271 1 s 0.098454 1.000000 9 p 0.057087 0.081938 p 0.115901 0.251826 p 0.235305 0.376344 p 0.477723 0.320902 p 0.969889 0.143779 p 1.969099 -0.045543 p 3.997726 -0.017191 p 8.116307 0.002580 p 16.477979 -0.000222 1 p 0.128926 1.000000 1 d 0.514135 1.000000 '); INSERT INTO "data_tab" VALUES(3,'S','Element Symbol: S Basis-namevtz: vtz HF-Energy: -9.957145 CCSD(T)-Energy: -10.114756 9 s 0.095120 0.140074 s 0.202385 0.490942 s 0.430611 0.515297 s 0.916203 0.050320 s 1.949388 -0.298908 s 4.147674 0.019827 s 8.824926 0.007266 s 18.776623 -0.001602 s 39.950656 0.000271 1 s 0.146642 1.000000 1 s 0.792025 1.000000 9 p 0.057087 0.081938 p 0.115901 0.251826 p 0.235305 0.376344 p 0.477723 0.320902 p 0.969889 0.143779 p 1.969099 -0.045543 p 3.997726 -0.017191 p 8.116307 0.002580 p 16.477979 -0.000222 1 p 0.088694 1.000000 1 p 0.247967 1.000000 1 d 0.292889 1.000000 1 d 0.950659 1.000000 1 f 0.573218 1.000000 '); INSERT INTO "data_tab" VALUES(4,'S','Element Symbol: S Basis-namevqz: vqz HF-Energy: -9.957360 CCSD(T)-Energy: -10.127207 9 s 0.095120 0.140074 s 0.202385 0.490942 s 0.430611 0.515297 s 0.916203 0.050320 s 1.949388 -0.298908 s 4.147674 0.019827 s 8.824926 0.007266 s 18.776623 -0.001602 s 39.950656 0.000271 1 s 0.123759 1.000000 1 s 0.315587 1.000000 1 s 0.651905 1.000000 9 p 0.057087 0.081938 p 0.115901 0.251826 p 0.235305 0.376344 p 0.477723 0.320902 p 0.969889 0.143779 p 1.969099 -0.045543 p 3.997726 -0.017191 p 8.116307 0.002580 p 16.477979 -0.000222 1 p 0.078717 1.000000 1 p 0.202707 1.000000 1 p 0.301333 1.000000 1 d 0.215701 1.000000 1 d 0.560638 1.000000 1 d 1.588204 1.000000 1 f 0.356554 1.000000 1 f 0.961826 1.000000 1 g 0.694803 1.000000 '); INSERT INTO "data_tab" VALUES(5,'S','Element Symbol: S Basis-namev5z: v5z HF-Energy: -9.957418 CCSD(T)-Energy: -10.131970 9 s 0.095120 0.140074 s 0.202385 0.490942 s 0.430611 0.515297 s 0.916203 0.050320 s 1.949388 -0.298908 s 4.147674 0.019827 s 8.824926 0.007266 s 18.776623 -0.001602 s 39.950656 0.000271 1 s 0.113918 1.000000 1 s 0.282790 1.000000 1 s 0.626702 1.000000 1 s 1.338226 1.000000 9 p 0.057087 0.081938 p 0.115901 0.251826 p 0.235305 0.376344 p 0.477723 0.320902 p 0.969889 0.143779 p 1.969099 -0.045543 p 3.997726 -0.017191 p 8.116307 0.002580 p 16.477979 -0.000222 1 p 0.079101 1.000000 1 p 0.210632 1.000000 1 p 0.522537 1.000000 1 p 0.924454 1.000000 1 d 0.186546 1.000000 1 d 0.462328 1.000000 1 d 0.955579 1.000000 1 d 2.334308 1.000000 1 f 0.274343 1.000000 1 f 0.661568 1.000000 1 f 1.389533 1.000000 1 g 0.486698 1.000000 1 g 1.166495 1.000000 1 h 0.839494 1.000000'); INSERT INTO "data_tab" VALUES(2,'Cl','Element Symbol: Cl Basis-namevdz: vdz HF-Energy: -14.740423 CCSD(T)-Energy: -14.874246 9 s 0.119944 0.148917 s 0.257348 0.503616 s 0.552157 0.523995 s 1.184691 0.013612 s 2.541836 -0.328846 s 5.453681 0.056309 s 11.701243 -0.001301 s 25.105812 -0.000294 s 53.866226 0.000076 1 s 0.120667 1.000000 9 p 0.074374 0.084925 p 0.155084 0.270658 p 0.323378 0.396022 p 0.674303 0.324325 p 1.406043 0.100661 p 2.931855 -0.069802 p 6.113450 -0.000951 p 12.747651 0.001501 p 26.581165 -0.000249 1 p 0.168333 1.000000 1 d 0.651071 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Cl','Element Symbol: Cl Basis-namevtz: vtz HF-Energy: -14.741759 CCSD(T)-Energy: -14.945231 9 s 0.119944 0.148917 s 0.257348 0.503616 s 0.552157 0.523995 s 1.184691 0.013612 s 2.541836 -0.328846 s 5.453681 0.056309 s 11.701243 -0.001301 s 25.105812 -0.000294 s 53.866226 0.000076 1 s 0.185613 1.000000 1 s 0.991560 1.000000 9 p 0.074374 0.084925 p 0.155084 0.270658 p 0.323378 0.396022 p 0.674303 0.324325 p 1.406043 0.100661 p 2.931855 -0.069802 p 6.113450 -0.000951 p 12.747651 0.001501 p 26.581165 -0.000249 1 p 0.112268 1.000000 1 p 0.309583 1.000000 1 d 0.352357 1.000000 1 d 1.128796 1.000000 1 f 0.731999 1.000000 '); INSERT INTO "data_tab" VALUES(4,'Cl','Element Symbol: Cl Basis-namevqz: vqz HF-Energy: -14.741946 CCSD(T)-Energy: -14.966388 9 s 0.119944 0.148917 s 0.257348 0.503616 s 0.552157 0.523995 s 1.184691 0.013612 s 2.541836 -0.328846 s 5.453681 0.056309 s 11.701243 -0.001301 s 25.105812 -0.000294 s 53.866226 0.000076 1 s 0.161594 1.000000 1 s 0.440111 1.000000 1 s 0.848928 1.000000 9 p 0.074374 0.084925 p 0.155084 0.270658 p 0.323378 0.396022 p 0.674303 0.324325 p 1.406043 0.100661 p 2.931855 -0.069802 p 6.113450 -0.000951 p 12.747651 0.001501 p 26.581165 -0.000249 1 p 0.111309 1.000000 1 p 1.286881 1.000000 1 p 0.289403 1.000000 1 d 0.253063 1.000000 1 d 0.642589 1.000000 1 d 1.654717 1.000000 1 f 0.448175 1.000000 1 f 1.189807 1.000000 1 g 0.848307 1.000000 '); INSERT INTO "data_tab" VALUES(5,'Cl','Element Symbol: Cl Basis-namev5z: v5z HF-Energy: -14.741980 CCSD(T)-Energy: -14.972355 9 s 0.119944 0.148917 s 0.257348 0.503616 s 0.552157 0.523995 s 1.184691 0.013612 s 2.541836 -0.328846 s 5.453681 0.056309 s 11.701243 -0.001301 s 25.105812 -0.000294 s 53.866226 0.000076 1 s 0.152049 1.000000 1 s 0.639110 1.000000 1 s 0.801438 1.000000 1 s 1.671380 1.000000 9 p 0.074374 0.084925 p 0.155084 0.270658 p 0.323378 0.396022 p 0.674303 0.324325 p 1.406043 0.100661 p 2.931855 -0.069802 p 6.113450 -0.000951 p 12.747651 0.001501 p 26.581165 -0.000249 1 p 0.103926 1.000000 1 p 0.275582 1.000000 1 p 0.667436 1.000000 1 p 1.171614 1.000000 1 d 0.237419 1.000000 1 d 0.729517 1.000000 1 d 0.924049 1.000000 1 d 1.522182 1.000000 1 f 0.335123 1.000000 1 f 0.789116 1.000000 1 f 1.609975 1.000000 1 g 0.576133 1.000000 1 g 1.402971 1.000000 1 h 1.099609 1.000000'); INSERT INTO "data_tab" VALUES(2,'Ar','Element Symbol: Ar Basis-namevdz: vdz HF-Energy: -20.884139 CCSD(T)-Energy: -21.042077 9 s 0.147347 0.155473 s 0.312164 0.494617 s 0.661339 0.526705 s 1.401090 0.021986 s 2.968301 -0.338533 s 6.288539 0.056023 s 13.322677 -0.000115 s 28.224956 -0.000595 s 59.796402 0.000127 1 s 0.147526 1.000000 9 p 0.090580 0.079101 p 0.188085 0.260718 p 0.390548 0.395065 p 0.810953 0.334954 p 1.683902 0.107462 p 3.496535 -0.073657 p 7.260371 -0.001407 p 15.075781 0.001710 p 31.304069 -0.000275 1 p 0.211798 1.000000 1 d 0.810888 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Ar','Element Symbol: Ar Basis-namevtz: vtz HF-Energy: -20.884139 CCSD(T)-Energy: -21.131134 9 s 0.147347 0.155473 s 0.312164 0.494617 s 0.661339 0.526705 s 1.401090 0.021986 s 2.968301 -0.338533 s 6.288539 0.056023 s 13.322677 -0.000115 s 28.224956 -0.000595 s 59.796402 0.000127 1 s 0.228740 1.000000 1 s 1.191630 1.000000 9 p 0.090580 0.079101 p 0.188085 0.260718 p 0.390548 0.395065 p 0.810953 0.334954 p 1.683902 0.107462 p 3.496535 -0.073657 p 7.260371 -0.001407 p 15.075781 0.001710 p 31.304069 -0.000275 1 p 0.138338 1.000000 1 p 0.380189 1.000000 1 d 0.425779 1.000000 1 d 1.370859 1.000000 1 f 0.929931 1.000000 '); INSERT INTO "data_tab" VALUES(4,'Ar','Element Symbol: Ar Basis-namevqz: vqz HF-Energy: -20.884139 CCSD(T)-Energy: -21.161250 9 s 0.147347 0.155473 s 0.312164 0.494617 s 0.661339 0.526705 s 1.401090 0.021986 s 2.968301 -0.338533 s 6.288539 0.056023 s 13.322677 -0.000115 s 28.224956 -0.000595 s 59.796402 0.000127 1 s 0.196024 1.000000 1 s 0.540061 1.000000 1 s 1.020348 1.000000 9 p 0.090580 0.079101 p 0.188085 0.260718 p 0.390548 0.395065 p 0.810953 0.334954 p 1.683902 0.107462 p 3.496535 -0.073657 p 7.260371 -0.001407 p 15.075781 0.001710 p 31.304069 -0.000275 1 p 0.140701 1.000000 1 p 1.604300 1.000000 1 p 0.367738 1.000000 1 d 0.304103 1.000000 1 d 0.760464 1.000000 1 d 1.900944 1.000000 1 f 0.583628 1.000000 1 f 1.480507 1.000000 1 g 1.030824 1.000000 '); INSERT INTO "data_tab" VALUES(5,'Ar','Element Symbol: Ar Basis-namev5z: v5z HF-Energy: -20.884139 CCSD(T)-Energy: -21.170192 9 s 0.147347 0.155473 s 0.312164 0.494617 s 0.661339 0.526705 s 1.401090 0.021986 s 2.968301 -0.338533 s 6.288539 0.056023 s 13.322677 -0.000115 s 28.224956 -0.000595 s 59.796402 0.000127 1 s 0.189594 1.000000 1 s 0.778040 1.000000 1 s 0.971266 1.000000 1 s 1.979612 1.000000 9 p 0.090580 0.079101 p 0.188085 0.260718 p 0.390548 0.395065 p 0.810953 0.334954 p 1.683902 0.107462 p 3.496535 -0.073657 p 7.260371 -0.001407 p 15.075781 0.001710 p 31.304069 -0.000275 1 p 0.133916 1.000000 1 p 0.356186 1.000000 1 p 0.833562 1.000000 1 p 1.430927 1.000000 1 d 0.268113 1.000000 1 d 0.697753 1.000000 1 d 1.185366 1.000000 1 d 2.118102 1.000000 1 f 0.422461 1.000000 1 f 0.973776 1.000000 1 f 2.020616 1.000000 1 g 0.695217 1.000000 1 g 1.690111 1.000000 1 h 1.258944 1.000000'); INSERT INTO "data_tab" VALUES(2,'K','Element Symbol: K Basis-namevdz: vdz HF-Energy: -0.147527 CCSD(T)-Energy: -0.147527 9 s 0.017365 0.444154 s 0.039432 0.431906 s 0.089538 0.040955 s 0.203317 -0.178633 s 0.461676 -0.162292 s 1.048337 0.083942 s 2.380481 -0.013650 s 5.405407 0.001752 s 12.274172 -0.000216 1 s 0.134208 1.000000 9 p 0.015053 -0.022303 p 0.033214 -0.055106 p 0.073286 -0.050766 p 0.161705 0.022211 p 0.356799 0.029953 p 0.787270 -0.008213 p 1.737100 0.000160 p 3.832883 0.000253 p 8.457196 -0.000071 1 p 0.039934 1.000000 1 d 0.055562 1.000000 '); INSERT INTO "data_tab" VALUES(3,'K','Element Symbol: K Basis-namevtz: vtz HF-Energy: -0.147624 CCSD(T)-Energy: -0.147624 9 s 0.017365 0.444154 s 0.039432 0.431906 s 0.089538 0.040955 s 0.203317 -0.178633 s 0.461676 -0.162292 s 1.048337 0.083942 s 2.380481 -0.013650 s 5.405407 0.001752 s 12.274172 -0.000216 1 s 0.057933 1.000000 1 s 0.171219 1.000000 9 p 0.015053 -0.022303 p 0.033214 -0.055106 p 0.073286 -0.050766 p 0.161705 0.022211 p 0.356799 0.029953 p 0.787270 -0.008213 p 1.737100 0.000160 p 3.832883 0.000253 p 8.457196 -0.000071 1 p 0.044643 1.000000 1 p 0.256200 1.000000 1 d 0.060330 1.000000 1 d 0.581732 1.000000 1 f 0.473119 1.000000'); INSERT INTO "data_tab" VALUES(2,'Ca','Element Symbol: Ca Basis-namevdz: vdz HF-Energy: -1.733603 CCSD(T)-Energy: -1.799647 9 s 0.019220 0.031083 s 0.044206 0.129599 s 0.101674 0.197919 s 0.233852 -0.075445 s 0.537862 -0.197849 s 1.237092 0.083244 s 2.845329 -0.012885 s 6.544301 0.001791 s 15.051990 -0.000245 1 s 0.124975 1.000000 9 p 0.008008 -0.005632 p 0.018417 0.031052 p 0.042355 0.094286 p 0.097408 0.163876 p 0.224018 -0.003961 p 0.515195 -0.111912 p 1.184839 0.031892 p 2.724878 -0.004517 p 6.266642 0.000588 1 p 0.126295 1.000000 1 d 0.607820 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Ca','Element Symbol: Ca Basis-namevtz: vtz HF-Energy: -1.738556 CCSD(T)-Energy: -1.808349 9 s 0.019220 0.031083 s 0.044206 0.129599 s 0.101674 0.197919 s 0.233852 -0.075445 s 0.537862 -0.197849 s 1.237092 0.083244 s 2.845329 -0.012885 s 6.544301 0.001791 s 15.051990 -0.000245 1 s 0.108753 1.000000 1 s 0.367753 1.000000 9 p 0.008008 -0.005632 p 0.018417 0.031052 p 0.042355 0.094286 p 0.097408 0.163876 p 0.224018 -0.003961 p 0.515195 -0.111912 p 1.184839 0.031892 p 2.724878 -0.004517 p 6.266642 0.000588 1 p 0.044555 1.000000 1 p 0.118007 1.000000 1 d 0.182720 1.000000 1 d 0.854471 1.000000 1 f 0.185370 1.000000'); INSERT INTO "data_tab" VALUES(2,'Ga','Element Symbol: Ga Basis-namevdz: vdz HF-Energy: -1.975237 CCSD(T)-Energy: -2.019073 9 s 0.054628 0.253171 s 0.123743 0.598295 s 0.280299 0.356909 s 0.634926 -0.056544 s 1.438218 -0.411266 s 3.257814 0.156079 s 7.379514 -0.025142 s 16.715879 0.004089 s 37.864367 -0.000622 1 s 0.031898 1.000000 9 p 0.029207 0.759400 p 0.064420 -0.022059 p 0.142086 0.368252 p 0.313389 0.051142 p 0.691221 0.036655 p 1.524577 -0.078589 p 3.362652 0.017781 p 7.416764 -0.002498 p 16.358632 0.000386 1 p 0.027155 1.000000 1 d 0.182311 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Ga','Element Symbol: Ga Basis-namevtz: vtz HF-Energy: -1.977538 CCSD(T)-Energy: -2.028322 9 s 0.054628 0.253171 s 0.123743 0.598295 s 0.280299 0.356909 s 0.634926 -0.056544 s 1.438218 -0.411266 s 3.257814 0.156079 s 7.379514 -0.025142 s 16.715879 0.004089 s 37.864367 -0.000622 1 s 0.069703 1.000000 1 s 0.341994 1.000000 9 p 0.029207 0.759400 p 0.064420 -0.022059 p 0.142086 0.368252 p 0.313389 0.051142 p 0.691221 0.036655 p 1.524577 -0.078589 p 3.362652 0.017781 p 7.416764 -0.002498 p 16.358632 0.000386 1 p 0.027309 1.000000 1 p 0.064029 1.000000 1 d 0.105092 1.000000 1 d 0.266379 1.000000 1 f 0.297554 1.000000'); INSERT INTO "data_tab" VALUES(2,'Ge','Element Symbol: Ge Basis-namevdz: vdz HF-Energy: -3.651512 CCSD(T)-Energy: -3.711099 9 s 0.066287 0.213230 s 0.150128 0.605570 s 0.340013 0.413442 s 0.770064 -0.106356 s 1.744049 -0.364579 s 3.949940 0.127448 s 8.945864 -0.017166 s 20.260687 0.002454 s 45.886614 -0.000355 1 s 0.043781 1.000000 9 p 0.036511 0.098680 p 0.080524 0.372290 p 0.177593 0.443836 p 0.391677 0.232585 p 0.863832 0.000058 p 1.905157 -0.108282 p 4.201772 0.021894 p 9.266892 -0.001911 p 20.437873 0.000181 1 p 0.074726 1.000000 1 d 0.234278 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Ge','Element Symbol: Ge Basis-namevtz: vtz HF-Energy: -3.651566 CCSD(T)-Energy: -3.722250 9 s 0.066287 0.213230 s 0.150128 0.605570 s 0.340013 0.413442 s 0.770064 -0.106356 s 1.744049 -0.364579 s 3.949940 0.127448 s 8.945864 -0.017166 s 20.260687 0.002454 s 45.886614 -0.000355 1 s 0.091049 1.000000 1 s 0.445676 1.000000 9 p 0.036511 0.098680 p 0.080524 0.372290 p 0.177593 0.443836 p 0.391677 0.232585 p 0.863832 0.000058 p 1.905157 -0.108282 p 4.201772 0.021894 p 9.266892 -0.001911 p 20.437873 0.000181 1 p 0.040412 1.000000 1 p 0.092450 1.000000 1 d 0.130147 1.000000 1 d 0.323826 1.000000 1 f 0.352814 1.000000'); INSERT INTO "data_tab" VALUES(2,'As','Element Symbol: As Basis-namevdz: vdz HF-Energy: -6.042213 CCSD(T)-Energy: -6.112605 9 s 0.079412 0.192043 s 0.178687 0.611682 s 0.402068 0.439261 s 0.904702 -0.110280 s 2.035691 -0.394179 s 4.580555 0.145632 s 10.306811 -0.021379 s 23.191593 0.003205 s 52.183937 -0.000469 1 s 0.051480 1.000000 9 p 0.050626 0.105058 p 0.108692 0.361819 p 0.233354 0.452107 p 0.500995 0.231243 p 1.075603 -0.009549 p 2.309248 -0.121767 p 4.957802 0.028648 p 10.644071 -0.002941 p 22.852115 0.000293 1 p 0.095623 1.000000 1 d 0.297652 1.000000 '); INSERT INTO "data_tab" VALUES(3,'As','Element Symbol: As Basis-namevtz: vtz HF-Energy: -6.042212 CCSD(T)-Energy: -6.133416 9 s 0.079412 0.192043 s 0.178687 0.611682 s 0.402068 0.439261 s 0.904702 -0.110280 s 2.035691 -0.394179 s 4.580555 0.145632 s 10.306811 -0.021379 s 23.191593 0.003205 s 52.183937 -0.000469 1 s 0.113088 1.000000 1 s 0.540159 1.000000 9 p 0.050626 0.105058 p 0.108692 0.361819 p 0.233354 0.452107 p 0.500995 0.231243 p 1.075603 -0.009549 p 2.309248 -0.121767 p 4.957802 0.028648 p 10.644071 -0.002941 p 22.852115 0.000293 1 p 0.612326 1.000000 1 p 0.100851 1.000000 1 d 0.165790 1.000000 1 d 0.412063 1.000000 1 f 0.425290 1.000000'); INSERT INTO "data_tab" VALUES(2,'Se','Element Symbol: Se Basis-namevdz: vdz HF-Energy: -9.130646 CCSD(T)-Energy: -9.221187 9 s 0.096883 0.200965 s 0.217674 0.615093 s 0.489067 0.462636 s 1.098828 -0.204179 s 2.468828 -0.307584 s 5.546920 0.109895 s 12.462726 -0.012288 s 28.001040 0.001205 s 62.912258 -0.000132 1 s 0.062467 1.000000 9 p 0.056147 0.073504 p 0.122259 0.334692 p 0.266220 0.473323 p 0.579694 0.276571 p 1.262286 -0.032356 p 2.748631 -0.103709 p 5.985152 0.020181 p 13.032685 -0.001095 p 28.378708 0.000019 1 p 0.107381 1.000000 1 d 0.348649 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Se','Element Symbol: Se Basis-namevtz: vtz HF-Energy: -9.132375 CCSD(T)-Energy: -9.258881 9 s 0.096883 0.200965 s 0.217674 0.615093 s 0.489067 0.462636 s 1.098828 -0.204179 s 2.468828 -0.307584 s 5.546920 0.109895 s 12.462726 -0.012288 s 28.001040 0.001205 s 62.912258 -0.000132 1 s 0.130387 1.000000 1 s 0.584755 1.000000 9 p 0.056147 0.073504 p 0.122259 0.334692 p 0.266220 0.473323 p 0.579694 0.276571 p 1.262286 -0.032356 p 2.748631 -0.103709 p 5.985152 0.020181 p 13.032685 -0.001095 p 28.378708 0.000019 1 p 0.069683 1.000000 1 p 0.141231 1.000000 1 d 0.195235 1.000000 1 d 0.471051 1.000000 1 f 0.466246 1.000000'); INSERT INTO "data_tab" VALUES(2,'Br','Element Symbol: Br Basis-namevdz: vdz HF-Energy: -13.124612 CCSD(T)-Energy: -13.235352 9 s 0.114626 0.199832 s 0.253024 0.605806 s 0.558520 0.486414 s 1.232866 -0.208964 s 2.721403 -0.328448 s 6.007171 0.118471 s 13.260109 -0.013112 s 29.270100 0.001206 s 64.610234 -0.000121 1 s 0.074712 1.000000 9 p 0.067990 0.107992 p 0.145507 0.331860 p 0.311403 0.442871 p 0.666441 0.283256 p 1.426267 -0.026045 p 3.052389 -0.111323 p 6.532494 0.021712 p 13.980353 -0.001188 p 29.919703 0.000022 1 p 0.129654 1.000000 1 d 0.417296 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Br','Element Symbol: Br Basis-namevtz: vtz HF-Energy: -13.125979 CCSD(T)-Energy: -13.288432 9 s 0.114626 0.199832 s 0.253024 0.605806 s 0.558520 0.486414 s 1.232866 -0.208964 s 2.721403 -0.328448 s 6.007171 0.118471 s 13.260109 -0.013112 s 29.270100 0.001206 s 64.610234 -0.000121 1 s 0.154401 1.000000 1 s 0.660618 1.000000 9 p 0.067990 0.107992 p 0.145507 0.331860 p 0.311403 0.442871 p 0.666441 0.283256 p 1.426267 -0.026045 p 3.052389 -0.111323 p 6.532494 0.021712 p 13.980353 -0.001188 p 29.919703 0.000022 1 p 0.078655 1.000000 1 p 0.164043 1.000000 1 d 0.234980 1.000000 1 d 0.568017 1.000000 1 f 0.555711 1.000000'); INSERT INTO "data_tab" VALUES(2,'Kr','Element Symbol: Kr Basis-namevdz: vdz HF-Energy: -18.128728 CCSD(T)-Energy: -18.252979 9 s 0.129911 0.183453 s 0.282220 0.596016 s 0.613098 0.506410 s 1.331901 -0.150926 s 2.893437 -0.423611 s 6.285735 0.162644 s 13.655203 -0.023284 s 29.664719 0.003157 s 64.443973 -0.000422 1 s 0.634619 1.000000 9 p 0.079314 0.096705 p 0.167216 0.312567 p 0.352539 0.448237 p 0.743252 0.298640 p 1.566988 -0.003641 p 3.303659 -0.138798 p 6.965055 0.029989 p 14.684325 -0.002578 p 30.958748 0.000205 1 p 0.149902 1.000000 1 d 0.487932 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Kr','Element Symbol: Kr Basis-namevtz: vtz HF-Energy: -18.128728 CCSD(T)-Energy: -18.321380 9 s 0.129911 0.183453 s 0.282220 0.596016 s 0.613098 0.506410 s 1.331901 -0.150926 s 2.893437 -0.423611 s 6.285735 0.162644 s 13.655203 -0.023284 s 29.664719 0.003157 s 64.443973 -0.000422 1 s 0.179349 1.000000 1 s 0.755436 1.000000 9 p 0.079314 0.096705 p 0.167216 0.312567 p 0.352539 0.448237 p 0.743252 0.298640 p 1.566988 -0.003641 p 3.303659 -0.138798 p 6.965055 0.029989 p 14.684325 -0.002578 p 30.958748 0.000205 1 p 0.094685 1.000000 1 p 0.189991 1.000000 1 d 0.279731 1.000000 1 d 0.675347 1.000000 1 f 0.685639 1.000000'); INSERT INTO "data_tab" VALUES(2,'Rb','Element Symbol: Rb Basis-namevdz: vdz HF-Energy: -0.139568 CCSD(T)-Energy: -0.139568 9 s 0.015824 0.483651 s 0.036041 0.682975 s 0.082088 -0.024815 s 0.186966 -0.191050 s 0.425839 -0.214531 s 0.969902 0.147399 s 2.209071 -0.038358 s 5.031431 0.007363 s 11.459706 -0.001094 1 s 0.017125 1.000000 9 p 0.009962 0.130254 p 0.023857 0.223104 p 0.057128 -0.295955 p 0.136803 0.122174 p 0.327596 0.000501 p 0.784480 -0.005930 p 1.878563 0.001091 p 4.498517 -0.000097 p 10.772413 -0.000002 1 p 0.014140 1.000000 1 d 0.037953 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Rb','Element Symbol: Rb Basis-namevtz: vtz HF-Energy: -0.139568 CCSD(T)-Energy: -0.139568 9 s 0.015824 0.483651 s 0.036041 0.682975 s 0.082088 -0.024815 s 0.186966 -0.191050 s 0.425839 -0.214531 s 0.969902 0.147399 s 2.209071 -0.038358 s 5.031431 0.007363 s 11.459706 -0.001094 1 s 0.046223 1.000000 1 s 0.150890 1.000000 9 p 0.009962 0.130254 p 0.023857 0.223104 p 0.057128 -0.295955 p 0.136803 0.122174 p 0.327596 0.000501 p 0.784480 -0.005930 p 1.878563 0.001091 p 4.498517 -0.000097 p 10.772413 -0.000002 1 p 0.017975 1.000000 1 p 0.139593 1.000000 1 d 0.048316 1.000000 1 d 0.511469 1.000000 1 f 0.061541 1.000000'); INSERT INTO "data_tab" VALUES(2,'Sr','Element Symbol: Sr Basis-namevdz: vdz HF-Energy: -1.672139 CCSD(T)-Energy: -1.737614 9 s 0.019429 0.044654 s 0.043476 0.138301 s 0.097283 0.169624 s 0.217685 -0.093894 s 0.487102 -0.247613 s 1.089961 0.160101 s 2.438947 -0.043595 s 5.457499 0.008684 s 12.211949 -0.001296 1 s 0.091481 1.000000 9 p 0.027297 0.079015 p 0.055025 0.109563 p 0.110920 0.096798 p 0.223593 -0.047473 p 0.450721 -0.171028 p 0.908566 0.104848 p 1.831493 -0.029516 p 3.691937 0.006196 p 7.442231 -0.000955 1 p 0.098678 1.000000 1 d 0.433416 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Sr','Element Symbol: Sr Basis-namevtz: vtz HF-Energy: -1.675765 CCSD(T)-Energy: -1.745003 9 s 0.019429 0.044654 s 0.043476 0.138301 s 0.097283 0.169624 s 0.217685 -0.093894 s 0.487102 -0.247613 s 1.089961 0.160101 s 2.438947 -0.043595 s 5.457499 0.008684 s 12.211949 -0.001296 1 s 0.058772 1.000000 1 s 0.399132 1.000000 9 p 0.027297 0.079015 p 0.055025 0.109563 p 0.110920 0.096798 p 0.223593 -0.047473 p 0.450721 -0.171028 p 0.908566 0.104848 p 1.831493 -0.029516 p 3.691937 0.006196 p 7.442231 -0.000955 1 p 0.283264 1.000000 1 p 0.103874 1.000000 1 d 0.119806 1.000000 1 d 0.528269 1.000000 1 f 0.164546 1.000000'); INSERT INTO "data_tab" VALUES(2,'In','Element Symbol: In Basis-namevdz: vdz HF-Energy: -1.789168 CCSD(T)-Energy: -1.828073 9 s 0.048513 0.266560 s 0.104327 0.595345 s 0.224354 0.377654 s 0.482469 -0.036404 s 1.037542 -0.581005 s 2.231217 0.270265 s 4.798193 -0.053715 s 10.318430 0.008961 s 22.189605 -0.001283 1 s 0.024011 1.000000 9 p 0.024898 0.739358 p 0.052455 -0.048330 p 0.110513 0.414377 p 0.232832 0.046307 p 0.490534 0.047980 p 1.033468 -0.124316 p 2.177331 0.037471 p 4.587245 -0.006011 p 9.664500 0.000835 1 p 0.022887 1.000000 1 d 0.136213 1.000000 '); INSERT INTO "data_tab" VALUES(3,'In','Element Symbol: In Basis-namevtz: vtz HF-Energy: -1.791298 CCSD(T)-Energy: -1.835936 9 s 0.048513 0.266560 s 0.104327 0.595345 s 0.224354 0.377654 s 0.482469 -0.036404 s 1.037542 -0.581005 s 2.231217 0.270265 s 4.798193 -0.053715 s 10.318430 0.008961 s 22.189605 -0.001283 1 s 0.061026 1.000000 1 s 0.254654 1.000000 9 p 0.024898 0.739358 p 0.052455 -0.048330 p 0.110513 0.414377 p 0.232832 0.046307 p 0.490534 0.047980 p 1.033468 -0.124316 p 2.177331 0.037471 p 4.587245 -0.006011 p 9.664500 0.000835 1 p 0.023836 1.000000 1 p 0.047183 1.000000 1 d 0.092239 1.000000 1 d 0.190116 1.000000 1 f 0.255751 1.000000'); INSERT INTO "data_tab" VALUES(2,'Sn','Element Symbol: Sn Basis-namevdz: vdz HF-Energy: -3.244277 CCSD(T)-Energy: -3.297181 9 s 0.059000 0.238882 s 0.124327 0.598806 s 0.261986 0.422531 s 0.552065 -0.035727 s 1.163330 -0.631790 s 2.451407 0.294297 s 5.165685 -0.057592 s 10.885303 0.009333 s 22.937872 -0.001298 1 s 0.031199 1.000000 9 p 0.030513 0.083958 p 0.063306 0.340660 p 0.131342 0.458257 p 0.272497 0.257950 p 0.565351 0.020922 p 1.172938 -0.189121 p 2.433504 0.054068 p 5.048810 -0.007013 p 10.474808 0.000749 1 p 0.058385 1.000000 1 d 0.170348 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Sn','Element Symbol: Sn Basis-namevtz: vtz HF-Energy: -3.244331 CCSD(T)-Energy: -3.308613 9 s 0.059000 0.238882 s 0.124327 0.598806 s 0.261986 0.422531 s 0.552065 -0.035727 s 1.163330 -0.631790 s 2.451407 0.294297 s 5.165685 -0.057592 s 10.885303 0.009333 s 22.937872 -0.001298 1 s 0.078210 1.000000 1 s 0.308424 1.000000 9 p 0.030513 0.083958 p 0.063306 0.340660 p 0.131342 0.458257 p 0.272497 0.257950 p 0.565351 0.020922 p 1.172938 -0.189121 p 2.433504 0.054068 p 5.048810 -0.007013 p 10.474808 0.000749 1 p 0.064892 1.000000 1 p 0.376619 1.000000 1 d 0.107845 1.000000 1 d 0.223450 1.000000 1 f 0.281256 1.000000'); INSERT INTO "data_tab" VALUES(2,'Sb','Element Symbol: Sb Basis-namevdz: vdz HF-Energy: -5.283212 CCSD(T)-Energy: -5.345312 9 s 0.069280 0.217459 s 0.143940 0.599932 s 0.299056 0.459407 s 0.621332 -0.042472 s 1.290905 -0.650362 s 2.682040 0.298333 s 5.572320 -0.056893 s 11.577290 0.009102 s 24.053472 -0.001255 1 s 0.037942 1.000000 9 p 0.040092 0.081712 p 0.080679 0.322605 p 0.162356 0.464722 p 0.326720 0.277088 p 0.657481 0.009090 p 1.323093 -0.194825 p 2.662550 0.054392 p 5.358030 -0.006455 p 10.782327 0.000629 1 p 0.073629 1.000000 1 d 0.210604 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Sb','Element Symbol: Sb Basis-namevtz: vtz HF-Energy: -5.283212 CCSD(T)-Energy: -5.364895 9 s 0.069280 0.217459 s 0.143940 0.599932 s 0.299056 0.459407 s 0.621332 -0.042472 s 1.290905 -0.650362 s 2.682040 0.298333 s 5.572320 -0.056893 s 11.577290 0.009102 s 24.053472 -0.001255 1 s 0.095057 1.000000 1 s 0.381961 1.000000 9 p 0.040092 0.081712 p 0.080679 0.322605 p 0.162356 0.464722 p 0.326720 0.277088 p 0.657481 0.009090 p 1.323093 -0.194825 p 2.662550 0.054392 p 5.358030 -0.006455 p 10.782327 0.000629 1 p 0.444761 1.000000 1 p 0.083227 1.000000 1 d 0.132431 1.000000 1 d 0.277357 1.000000 1 f 0.335242 1.000000'); INSERT INTO "data_tab" VALUES(2,'Te','Element Symbol: Te Basis-namevdz: vdz HF-Energy: -7.872220 CCSD(T)-Energy: -7.950924 9 s 0.075142 0.172506 s 0.157584 0.588177 s 0.330475 0.542659 s 0.693051 -0.103930 s 1.453424 -0.570963 s 3.048032 0.239627 s 6.392144 -0.037900 s 13.405211 0.005057 s 28.112581 -0.000643 1 s 0.045193 1.000000 9 p 0.044821 0.059581 p 0.089826 0.289200 p 0.180021 0.467423 p 0.360780 0.331776 p 0.723040 0.005406 p 1.449048 -0.191721 p 2.904042 0.045538 p 5.820001 -0.003600 p 11.663885 0.000205 1 p 0.080058 1.000000 1 d 0.238566 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Te','Element Symbol: Te Basis-namevtz: vtz HF-Energy: -7.873626 CCSD(T)-Energy: -7.988770 9 s 0.075142 0.172506 s 0.157584 0.588177 s 0.330475 0.542659 s 0.693051 -0.103930 s 1.453424 -0.570963 s 3.048032 0.239627 s 6.392144 -0.037900 s 13.405211 0.005057 s 28.112581 -0.000643 1 s 0.104759 1.000000 1 s 0.409341 1.000000 9 p 0.044821 0.059581 p 0.089826 0.289200 p 0.180021 0.467423 p 0.360780 0.331776 p 0.723040 0.005406 p 1.449048 -0.191721 p 2.904042 0.045538 p 5.820001 -0.003600 p 11.663885 0.000205 1 p 0.083068 1.000000 1 p 0.468540 1.000000 1 d 0.156856 1.000000 1 d 0.310218 1.000000 1 f 0.355218 1.000000'); INSERT INTO "data_tab" VALUES(2,'I','Element Symbol: I Basis-namevdz: vdz HF-Energy: -11.178777 CCSD(T)-Energy: -11.270900 9 s 0.093293 0.205902 s 0.193211 0.623144 s 0.400142 0.491788 s 0.828698 -0.113418 s 1.716243 -0.678442 s 3.554356 0.356660 s 7.361107 -0.078676 s 15.244927 0.013475 s 31.572396 -0.001859 1 s 0.047406 1.000000 9 p 0.056487 0.112792 p 0.113038 0.317009 p 0.226204 0.456514 p 0.452663 0.284746 p 0.905837 -0.012076 p 1.812697 -0.230182 p 3.627439 0.082214 p 7.258973 -0.012492 p 14.526139 0.001285 1 p 0.088978 1.000000 1 d 0.269408 1.000000 '); INSERT INTO "data_tab" VALUES(3,'I','Element Symbol: I Basis-namevtz: vtz HF-Energy: -11.180081 CCSD(T)-Energy: -11.325501 9 s 0.093293 0.205902 s 0.193211 0.623144 s 0.400142 0.491788 s 0.828698 -0.113418 s 1.716243 -0.678442 s 3.554356 0.356660 s 7.361107 -0.078676 s 15.244927 0.013475 s 31.572396 -0.001859 1 s 0.130955 1.000000 1 s 0.352610 1.000000 9 p 0.056487 0.112792 p 0.113038 0.317009 p 0.226204 0.456514 p 0.452663 0.284746 p 0.905837 -0.012076 p 1.812697 -0.230182 p 3.627439 0.082214 p 7.258973 -0.012492 p 14.526139 0.001285 1 p 0.107932 1.000000 1 p 0.587427 1.000000 1 d 0.189832 1.000000 1 d 0.346633 1.000000 1 f 0.430486 1.000000'); INSERT INTO "data_tab" VALUES(2,'Xe','Element Symbol: Xe Basis-namevdz: vdz HF-Energy: -15.276046 CCSD(T)-Energy: -15.367146 9 s 0.102640 0.191464 s 0.213839 0.622770 s 0.445507 0.534309 s 0.928158 -0.198001 s 1.933703 -0.566409 s 4.028632 0.286498 s 8.393159 -0.056363 s 17.486112 0.008649 s 36.430159 -0.001133 1 s 0.476026 1.000000 9 p 0.064650 0.098971 p 0.128837 0.311502 p 0.256753 0.460882 p 0.511669 0.309078 p 1.019678 -0.040260 p 2.032062 -0.202851 p 4.049587 0.067000 p 8.070204 -0.008468 p 16.082675 0.000710 1 p 0.404825 1.000000 1 d 0.299432 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Xe','Element Symbol: Xe Basis-namevtz: vtz HF-Energy: -15.276046 CCSD(T)-Energy: -15.445559 9 s 0.102640 0.191464 s 0.213839 0.622770 s 0.445507 0.534309 s 0.928158 -0.198001 s 1.933703 -0.566409 s 4.028632 0.286498 s 8.393159 -0.056363 s 17.486112 0.008649 s 36.430159 -0.001133 1 s 0.141271 1.000000 1 s 0.525354 1.000000 9 p 0.064650 0.098971 p 0.128837 0.311502 p 0.256753 0.460882 p 0.511669 0.309078 p 1.019678 -0.040260 p 2.032062 -0.202851 p 4.049587 0.067000 p 8.070204 -0.008468 p 16.082675 0.000710 1 p 0.129211 1.000000 1 p 0.655418 1.000000 1 d 0.226214 1.000000 1 d 0.397375 1.000000 1 f 0.496836 1.000000'); INSERT INTO "data_tab" VALUES(2,'Cs','Element Symbol: Cs Basis-namevdz: vdz HF-Energy: -0.127674 CCSD(T)-Energy: -0.127674 9 s 0.011442 0.303329 s 0.025922 0.824883 s 0.058728 0.058011 s 0.133054 -0.209752 s 0.301446 -0.290149 s 0.682952 0.194247 s 1.547285 -0.052400 s 3.505507 0.010597 s 7.942027 -0.001633 1 s 0.031425 1.000000 9 p 0.008763 0.107173 p 0.019961 0.250585 p 0.045467 -0.348843 p 0.103563 0.160806 p 0.235895 -0.011956 p 0.537318 -0.001447 p 1.223896 -0.000973 p 2.787774 0.000658 p 6.349954 -0.000179 1 p 0.187114 1.000000 1 d 0.105800 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Cs','Element Symbol: Cs Basis-namevtz: vtz HF-Energy: -0.127674 CCSD(T)-Energy: -0.127674 9 s 0.011442 0.303329 s 0.025922 0.824883 s 0.058728 0.058011 s 0.133054 -0.209752 s 0.301446 -0.290149 s 0.682952 0.194247 s 1.547285 -0.052400 s 3.505507 0.010597 s 7.942027 -0.001633 1 s 0.030554 1.000000 1 s 0.113847 1.000000 9 p 0.008763 0.107173 p 0.019961 0.250585 p 0.045467 -0.348843 p 0.103563 0.160806 p 0.235895 -0.011956 p 0.537318 -0.001447 p 1.223896 -0.000973 p 2.787774 0.000658 p 6.349954 -0.000179 1 p 0.014390 1.000000 1 p 0.116111 1.000000 1 d 0.055589 1.000000 1 d 0.241832 1.000000 1 f 0.180414 1.000000'); INSERT INTO "data_tab" VALUES(2,'Ba','Element Symbol: Ba Basis-namevdz: vdz HF-Energy: -1.610170 CCSD(T)-Energy: -1.675304 9 s 0.026951 0.124528 s 0.061991 0.149294 s 0.142589 0.000545 s 0.327978 -0.296677 s 0.754402 0.159361 s 1.735248 -0.038868 s 3.991352 0.007982 s 9.180759 -0.001801 s 21.117236 0.000323 1 s 0.074407 1.000000 9 p 0.004072 0.001465 p 0.009364 -0.008152 p 0.021535 0.082879 p 0.049525 0.134238 p 0.113895 0.044910 p 0.261930 -0.204506 p 0.602371 0.071512 p 1.385297 -0.012600 p 3.185823 0.001672 1 p 0.082723 1.000000 1 d 0.290433 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Ba','Element Symbol: Ba Basis-namevtz: vtz HF-Energy: -1.614237 CCSD(T)-Energy: -1.682836 9 s 0.026951 0.124528 s 0.061991 0.149294 s 0.142589 0.000545 s 0.327978 -0.296677 s 0.754402 0.159361 s 1.735248 -0.038868 s 3.991352 0.007982 s 9.180759 -0.001801 s 21.117236 0.000323 1 s 0.046036 1.000000 1 s 0.358001 1.000000 9 p 0.004072 0.001465 p 0.009364 -0.008152 p 0.021535 0.082879 p 0.049525 0.134238 p 0.113895 0.044910 p 0.261930 -0.204506 p 0.602371 0.071512 p 1.385297 -0.012600 p 3.185823 0.001672 1 p 0.179177 1.000000 1 p 0.108351 1.000000 1 d 0.083501 1.000000 1 d 0.336189 1.000000 1 f 0.166563 1.000000'); INSERT INTO "data_tab" VALUES(2,'Tl','Element Symbol: Tl Basis-namevdz: vdz HF-Energy: -1.885092 CCSD(T)-Energy: -1.914322 9 s 0.062145 0.342000 s 0.123848 0.545081 s 0.246813 0.349532 s 0.491866 0.191962 s 0.980226 -1.133349 s 1.953465 0.667322 s 3.893007 -0.183402 s 7.758267 0.036089 s 15.461238 -0.005048 1 s 0.093384 1.000000 9 p 0.026802 0.849514 p 0.054580 -0.193930 p 0.111148 0.480000 p 0.226344 -0.014563 p 0.460933 0.099645 p 0.938656 -0.202294 p 1.911505 0.080577 p 3.892639 -0.016631 p 7.927075 0.002321 1 p 0.022400 1.000000 1 d 0.118701 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Tl','Element Symbol: Tl Basis-namevtz: vtz HF-Energy: -1.882960 CCSD(T)-Energy: -1.920596 9 s 0.062145 0.342000 s 0.123848 0.545081 s 0.246813 0.349532 s 0.491866 0.191962 s 0.980226 -1.133349 s 1.953465 0.667322 s 3.893007 -0.183402 s 7.758267 0.036089 s 15.461238 -0.005048 1 s 0.068675 1.000000 1 s 0.224321 1.000000 9 p 0.026802 0.849514 p 0.054580 -0.193930 p 0.111148 0.480000 p 0.226344 -0.014563 p 0.460933 0.099645 p 0.938656 -0.202294 p 1.911505 0.080577 p 3.892639 -0.016631 p 7.927075 0.002321 1 p 0.028046 1.000000 1 p 0.141424 1.000000 1 d 0.149051 1.000000 1 d 0.594749 1.000000 1 f 0.231618 1.000000'); INSERT INTO "data_tab" VALUES(2,'Pb','Element Symbol: Pb Basis-namevdz: vdz HF-Energy: -3.307080 CCSD(T)-Energy: -3.347796 9 s 0.073981 0.324264 s 0.147087 0.571155 s 0.292431 0.374051 s 0.581400 0.124749 s 1.155914 -1.112721 s 2.298139 0.681231 s 4.569061 -0.191716 s 9.084013 0.037806 s 18.060446 -0.005225 1 s 0.027053 1.000000 9 p 0.036515 0.171402 p 0.072248 0.355473 p 0.142946 0.438265 p 0.282828 0.182315 p 0.559594 0.038526 p 1.107191 -0.295227 p 2.190647 0.129708 p 4.334333 -0.025877 p 8.575748 0.003106 1 p 0.050333 1.000000 1 d 0.143903 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Pb','Element Symbol: Pb Basis-namevtz: vtz HF-Energy: -3.307077 CCSD(T)-Energy: -3.359866 9 s 0.073981 0.324264 s 0.147087 0.571155 s 0.292431 0.374051 s 0.581400 0.124749 s 1.155914 -1.112721 s 2.298139 0.681231 s 4.569061 -0.191716 s 9.084013 0.037806 s 18.060446 -0.005225 1 s 0.093738 1.000000 1 s 0.216294 1.000000 9 p 0.036515 0.171402 p 0.072248 0.355473 p 0.142946 0.438265 p 0.282828 0.182315 p 0.559594 0.038526 p 1.107191 -0.295227 p 2.190647 0.129708 p 4.334333 -0.025877 p 8.575748 0.003106 1 p 0.364049 1.000000 1 p 0.064386 1.000000 1 d 0.172323 1.000000 1 d 0.607293 1.000000 1 f 0.238404 1.000000'); INSERT INTO "data_tab" VALUES(2,'Bi','Element Symbol: Bi Basis-namevdz: vdz HF-Energy: -5.265446 CCSD(T)-Energy: -5.312492 9 s 0.082248 0.282386 s 0.164490 0.593494 s 0.328968 0.424216 s 0.657912 0.038472 s 1.315777 -0.999227 s 2.631462 0.598472 s 5.262739 -0.160394 s 10.525107 0.030465 s 21.049473 -0.004168 1 s 0.033232 1.000000 9 p 0.044793 0.143664 p 0.087289 0.347153 p 0.170104 0.460130 p 0.331490 0.210922 p 0.645988 0.005175 p 1.258866 -0.293261 p 2.453207 0.131047 p 4.780671 -0.025394 p 9.316301 0.002893 1 p 0.061071 1.000000 1 d 0.168534 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Bi','Element Symbol: Bi Basis-namevtz: vtz HF-Energy: -5.265442 CCSD(T)-Energy: -5.331111 9 s 0.082248 0.282386 s 0.164490 0.593494 s 0.328968 0.424216 s 0.657912 0.038472 s 1.315777 -0.999227 s 2.631462 0.598472 s 5.262739 -0.160394 s 10.525107 0.030465 s 21.049473 -0.004168 1 s 0.106821 1.000000 1 s 0.302685 1.000000 9 p 0.044793 0.143664 p 0.087289 0.347153 p 0.170104 0.460130 p 0.331490 0.210922 p 0.645988 0.005175 p 1.258866 -0.293261 p 2.453207 0.131047 p 4.780671 -0.025394 p 9.316301 0.002893 1 p 0.418167 1.000000 1 p 0.080749 1.000000 1 d 0.202607 1.000000 1 d 0.774412 1.000000 1 f 0.256449 1.000000'); INSERT INTO "data_tab" VALUES(2,'Po','Element Symbol: Po Basis-namevdz: vdz HF-Energy: -7.719173 CCSD(T)-Energy: -7.776804 9 s 0.088283 0.231892 s 0.178248 0.604604 s 0.359891 0.486838 s 0.726636 -0.020877 s 1.467111 -0.915693 s 2.962164 0.530287 s 5.980742 -0.134624 s 12.075388 0.024651 s 24.380753 -0.003353 1 s 0.037768 1.000000 9 p 0.044924 0.081132 p 0.089086 0.312154 p 0.176659 0.485758 p 0.350319 0.289954 p 0.694690 -0.005099 p 1.377585 -0.290284 p 2.731780 0.120724 p 5.417177 -0.021788 p 10.742374 0.002411 1 p 0.062466 1.000000 1 d 0.180317 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Po','Element Symbol: Po Basis-namevtz: vtz HF-Energy: -7.720131 CCSD(T)-Energy: -7.811554 9 s 0.088283 0.231892 s 0.178248 0.604604 s 0.359891 0.486838 s 0.726636 -0.020877 s 1.467111 -0.915693 s 2.962164 0.530287 s 5.980742 -0.134624 s 12.075388 0.024651 s 24.380753 -0.003353 1 s 0.121540 1.000000 1 s 0.294130 1.000000 9 p 0.044924 0.081132 p 0.089086 0.312154 p 0.176659 0.485758 p 0.350319 0.289954 p 0.694690 -0.005099 p 1.377585 -0.290284 p 2.731780 0.120724 p 5.417177 -0.021788 p 10.742374 0.002411 1 p 0.085474 1.000000 1 p 0.447719 1.000000 1 d 0.223321 1.000000 1 d 0.766801 1.000000 1 f 0.260178 1.000000'); INSERT INTO "data_tab" VALUES(2,'At','Element Symbol: At Basis-namevdz: vdz HF-Energy: -10.819016 CCSD(T)-Energy: -10.889430 9 s 0.100143 0.225290 s 0.199361 0.601541 s 0.396881 0.515609 s 0.790095 -0.010167 s 1.572891 -0.996102 s 3.131250 0.588717 s 6.233573 -0.152415 s 12.409558 0.028000 s 24.704472 -0.003759 1 s 0.042701 1.000000 9 p 0.053678 0.126224 p 0.104254 0.308300 p 0.202485 0.458455 p 0.393270 0.283998 p 0.763818 0.007241 p 1.483503 -0.319237 p 2.881292 0.136193 p 5.596107 -0.024849 p 10.868879 0.002680 1 p 0.074570 1.000000 1 d 0.204779 1.000000 '); INSERT INTO "data_tab" VALUES(3,'At','Element Symbol: At Basis-namevtz: vtz HF-Energy: -10.820093 CCSD(T)-Energy: -10.936769 9 s 0.100143 0.225290 s 0.199361 0.601541 s 0.396881 0.515609 s 0.790095 -0.010167 s 1.572891 -0.996102 s 3.131250 0.588717 s 6.233573 -0.152415 s 12.409558 0.028000 s 24.704472 -0.003759 1 s 0.126317 1.000000 1 s 0.348625 1.000000 9 p 0.053678 0.126224 p 0.104254 0.308300 p 0.202485 0.458455 p 0.393270 0.283998 p 0.763818 0.007241 p 1.483503 -0.319237 p 2.881292 0.136193 p 5.596107 -0.024849 p 10.868879 0.002680 1 p 0.505772 1.000000 1 p 0.098494 1.000000 1 d 0.251072 1.000000 1 d 0.812390 1.000000 1 f 0.303469 1.000000'); INSERT INTO "data_tab" VALUES(2,'Rn','Element Symbol: Rn Basis-namevdz: vdz HF-Energy: -14.624183 CCSD(T)-Energy: -14.692789 9 s 0.107979 0.206817 s 0.216651 0.608890 s 0.434692 0.544015 s 0.872173 -0.082252 s 1.749941 -0.878709 s 3.511108 0.506465 s 7.044740 -0.124315 s 14.134673 0.021988 s 28.360021 -0.002930 1 s 0.459987 1.000000 9 p 0.061896 0.115991 p 0.119480 0.305963 p 0.230636 0.465939 p 0.445207 0.298902 p 0.859401 -0.018422 p 1.658936 -0.304231 p 3.202311 0.129646 p 6.181551 -0.022935 p 11.932499 0.002383 1 p 0.365679 1.000000 1 d 0.226604 1.000000 '); INSERT INTO "data_tab" VALUES(3,'Rn','Element Symbol: Rn Basis-namevtz: vtz HF-Energy: -14.624183 CCSD(T)-Energy: -14.758992 9 s 0.107979 0.206817 s 0.216651 0.608890 s 0.434692 0.544015 s 0.872173 -0.082252 s 1.749941 -0.878709 s 3.511108 0.506465 s 7.044740 -0.124315 s 14.134673 0.021988 s 28.360021 -0.002930 1 s 0.139908 1.000000 1 s 0.407257 1.000000 9 p 0.061896 0.115991 p 0.119480 0.305963 p 0.230636 0.465939 p 0.445207 0.298902 p 0.859401 -0.018422 p 1.658936 -0.304231 p 3.202311 0.129646 p 6.181551 -0.022935 p 11.932499 0.002383 1 p 0.571486 1.000000 1 p 0.116353 1.000000 1 d 0.282444 1.000000 1 d 0.826899 1.000000 1 f 0.343560 1.000000'); INSERT INTO "data_tab" VALUES(2,'As','ARSENIC S 9 1 0.079412 0.192043 2 0.178687 0.611682 3 0.402068 0.439261 4 0.904702 -0.110280 5 2.035691 -0.394179 6 4.580555 0.145632 7 10.306811 -0.021379 8 23.191593 0.003205 9 52.183937 -0.000469 S 1 1 0.051480 1.000000 P 9 1 0.050626 0.105058 2 0.108692 0.361819 3 0.233354 0.452107 4 0.500995 0.231243 5 1.075603 -0.009549 6 2.309248 -0.121767 7 4.957802 0.028648 8 10.644071 -0.002941 9 22.852115 0.000293 P 1 1 0.095623 1.000000 D 1 1 0.297652 1.000000 '); INSERT INTO "data_tab" VALUES(2,'Li','LITHIUM S 9 1 0.010125 0.007841 2 0.023437 0.258118 3 0.054251 0.423307 4 0.125581 0.167825 5 0.290697 -0.068332 6 0.672909 -0.119269 7 1.557659 0.007736 8 3.605689 0.003630 9 8.346494 -0.000646 S 1 1 0.103721 1.000000 P 9 1 0.018300 -0.005906 2 0.031699 -0.031422 3 0.054908 -0.043628 4 0.095111 -0.016781 5 0.164751 -0.078594 6 0.285379 0.015562 7 0.494330 -0.030830 8 0.856273 0.006185 9 1.483225 -0.008621 P 1 1 0.070391 1.000000 D 1 1 0.110720 1.000000 '); INSERT INTO "data_tab" VALUES(2,'Ge','GERMANIUM S 9 1 0.066287 0.213230 2 0.150128 0.605570 3 0.340013 0.413442 4 0.770064 -0.106356 5 1.744049 -0.364579 6 3.949940 0.127448 7 8.945864 -0.017166 8 20.260687 0.002454 9 45.886614 -0.000355 S 1 1 0.043781 1.000000 P 9 1 0.036511 0.098680 2 0.080524 0.372290 3 0.177593 0.443836 4 0.391677 0.232585 5 0.863832 0.000058 6 1.905157 -0.108282 7 4.201772 0.021894 8 9.266892 -0.001911 9 20.437873 0.000181 P 1 1 0.074726 1.000000 D 1 1 0.234278 1.000000 '); INSERT INTO "data_tab" VALUES(2,'Po','POLONIUM S 9 1 0.088283 0.231892 2 0.178248 0.604604 3 0.359891 0.486838 4 0.726636 -0.020877 5 1.467111 -0.915693 6 2.962164 0.530287 7 5.980742 -0.134624 8 12.075388 0.024651 9 24.380753 -0.003353 S 1 1 0.037768 1.000000 P 9 1 0.044924 0.081132 2 0.089086 0.312154 3 0.176659 0.485758 4 0.350319 0.289954 5 0.694690 -0.005099 6 1.377585 -0.290284 7 2.731780 0.120724 8 5.417177 -0.021788 9 10.742374 0.002411 P 1 1 0.062466 1.000000 D 1 1 0.180317 1.000000 '); INSERT INTO "data_tab" VALUES(2,'Sn','TIN S 9 1 0.059000 0.238882 2 0.124327 0.598806 3 0.261986 0.422531 4 0.552065 -0.035727 5 1.163330 -0.631790 6 2.451407 0.294297 7 5.165685 -0.057592 8 10.885303 0.009333 9 22.937872 -0.001298 S 1 1 0.031199 1.000000 P 9 1 0.030513 0.083958 2 0.063306 0.340660 3 0.131342 0.458257 4 0.272497 0.257950 5 0.565351 0.020922 6 1.172938 -0.189121 7 2.433504 0.054068 8 5.048810 -0.007013 9 10.474808 0.000749 P 1 1 0.058385 1.000000 D 1 1 0.170348 1.000000 '); INSERT INTO "data_tab" VALUES(2,'Ne','NEON S 9 1 0.205835 0.057514 2 0.391384 0.215776 3 0.744196 0.374799 4 1.415048 0.326313 5 2.690638 0.166383 6 5.116103 -0.039149 7 9.727994 -0.085909 8 18.497256 0.006816 9 35.171534 0.000206 S 1 1 0.455383 1.000000 P 9 1 0.121772 0.029943 2 0.238248 0.114200 3 0.466136 0.219618 4 0.912002 0.268864 5 1.784344 0.256932 6 3.491095 0.191378 7 6.830378 0.112176 8 13.363732 0.063317 9 26.146332 0.008057 P 1 1 0.472224 1.000000 D 1 1 2.371533 1.000000 '); INSERT INTO "data_tab" VALUES(2,'B','BORON S 9 1 0.040569 0.032031 2 0.081044 0.243317 3 0.161898 0.434636 4 0.323418 0.329581 5 0.646080 0.111875 6 1.290648 -0.078699 7 2.578276 -0.098781 8 5.150520 0.016164 9 10.288990 -0.000016 S 1 1 0.082513 1.000000 P 9 1 0.029207 0.019909 2 0.058408 0.141775 3 0.116803 0.294463 4 0.233582 0.309028 5 0.467115 0.236378 6 0.934132 0.131317 7 1.868068 0.066454 8 3.735743 0.021248 9 7.470701 0.002837 P 1 1 0.086803 1.000000 D 1 1 0.349879 1.000000 '); INSERT INTO "data_tab" VALUES(2,'Ga','GALLIUM S 9 1 0.054628 0.253171 2 0.123743 0.598295 3 0.280299 0.356909 4 0.634926 -0.056544 5 1.438218 -0.411266 6 3.257814 0.156079 7 7.379514 -0.025142 8 16.715879 0.004089 9 37.864367 -0.000622 S 1 1 0.031898 1.000000 P 9 1 0.029207 0.759400 2 0.064420 -0.022059 3 0.142086 0.368252 4 0.313389 0.051142 5 0.691221 0.036655 6 1.524577 -0.078589 7 3.362652 0.017781 8 7.416764 -0.002498 9 16.358632 0.000386 P 1 1 0.027155 1.000000 D 1 1 0.182311 1.000000 '); INSERT INTO "data_tab" VALUES(2,'Al','ALUMINUM S 9 1 0.045518 0.206193 2 0.100308 0.559887 3 0.221051 0.407852 4 0.487132 -0.041098 5 1.073500 -0.238652 6 2.365686 0.038132 7 5.213294 -0.003935 8 11.488606 0.000470 9 25.317597 -0.000014 S 1 1 0.044024 1.000000 P 9 1 0.014848 0.009932 2 0.030967 0.160212 3 0.064586 0.389171 4 0.134700 0.373235 5 0.280932 0.195800 6 0.585913 0.022947 7 1.221985 -0.053293 8 2.548578 0.004846 9 5.315330 -0.000726 P 1 1 0.206631 1.000000 D 1 1 0.193079 1.000000 '); INSERT INTO "data_tab" VALUES(2,'Mg','MAGNESIUM S 9 1 0.030975 0.165290 2 0.062959 0.506272 3 0.127970 0.333197 4 0.260111 0.057482 5 0.528700 -0.137614 6 1.074630 -0.135378 7 2.184285 0.048310 8 4.439759 -0.005312 9 9.024217 0.000465 S 1 1 0.162370 1.000000 P 9 1 0.047055 1.502038 2 0.083253 -1.433944 3 0.147298 1.318987 4 0.260611 -0.741124 5 0.461094 0.436300 6 0.815803 -0.243798 7 1.443383 0.086774 8 2.553745 -0.028677 9 4.518286 0.006085 P 1 1 0.121683 1.000000 D 1 1 0.135526 1.000000 '); INSERT INTO "data_tab" VALUES(2,'At','ASTATINE S 9 1 0.100143 0.225290 2 0.199361 0.601541 3 0.396881 0.515609 4 0.790095 -0.010167 5 1.572891 -0.996102 6 3.131250 0.588717 7 6.233573 -0.152415 8 12.409558 0.028000 9 24.704472 -0.003759 S 1 1 0.042701 1.000000 P 9 1 0.053678 0.126224 2 0.104254 0.308300 3 0.202485 0.458455 4 0.393270 0.283998 5 0.763818 0.007241 6 1.483503 -0.319237 7 2.881292 0.136193 8 5.596107 -0.024849 9 10.868879 0.002680 P 1 1 0.074570 1.000000 D 1 1 0.204779 1.000000 '); INSERT INTO "data_tab" VALUES(2,'N','NITROGEN S 9 1 0.098869 0.067266 2 0.211443 0.334290 3 0.452197 0.454257 4 0.967080 0.267861 5 2.068221 0.000248 6 4.423150 -0.132606 7 9.459462 0.014437 8 20.230246 0.000359 9 43.264919 -0.000094 S 1 1 0.175123 1.000000 P 9 1 0.073234 0.035758 2 0.145867 0.153945 3 0.290535 0.277656 4 0.578683 0.297676 5 1.152612 0.234403 6 2.295756 0.140321 7 4.572652 0.067219 8 9.107739 0.031594 9 18.140657 0.003301 P 1 1 0.223042 1.000000 D 1 1 0.832058 1.000000 '); INSERT INTO "data_tab" VALUES(2,'In','INDIUM S 9 1 0.048513 0.266560 2 0.104327 0.595345 3 0.224354 0.377654 4 0.482469 -0.036404 5 1.037542 -0.581005 6 2.231217 0.270265 7 4.798193 -0.053715 8 10.318430 0.008961 9 22.189605 -0.001283 S 1 1 0.024011 1.000000 P 9 1 0.024898 0.739358 2 0.052455 -0.048330 3 0.110513 0.414377 4 0.232832 0.046307 5 0.490534 0.047980 6 1.033468 -0.124316 7 2.177331 0.037471 8 4.587245 -0.006011 9 9.664500 0.000835 P 1 1 0.022887 1.000000 D 1 1 0.136213 1.000000 '); INSERT INTO "data_tab" VALUES(2,'Br','BROMINE S 9 1 0.114626 0.199832 2 0.253024 0.605806 3 0.558520 0.486414 4 1.232866 -0.208964 5 2.721403 -0.328448 6 6.007171 0.118471 7 13.260109 -0.013112 8 29.270100 0.001206 9 64.610234 -0.000121 S 1 1 0.074712 1.000000 P 9 1 0.067990 0.107992 2 0.145507 0.331860 3 0.311403 0.442871 4 0.666441 0.283256 5 1.426267 -0.026045 6 3.052389 -0.111323 7 6.532494 0.021712 8 13.980353 -0.001188 9 29.919703 0.000022 P 1 1 0.129654 1.000000 D 1 1 0.417296 1.000000 '); 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INSERT INTO "data_tab" VALUES(6,'He','HELIUM S 6 1 14.724593 0.035459 2 5.876024 0.096816 3 2.184104 0.214521 4 0.859307 0.340033 5 0.346900 0.349025 6 0.140004 0.133138 S 6 1 14.724593 -0.057627 2 5.876024 -0.205015 3 2.184104 -0.625120 4 0.859307 -0.249861 5 0.346900 0.718294 6 0.140004 0.368902 S 1 1 0.297600 1.000000 P 1 1 1.275000 1.000000 '); INSERT INTO "data_tab" VALUES(7,'Li','LITHIUM S 6 1 1.865990 0.005887 2 0.725995 -0.057751 3 0.309251 -0.111789 4 0.110313 0.361605 5 0.048874 -0.241554 6 0.021768 1.027902 S 6 1 1.865990 0.021568 2 0.725995 -0.162539 3 0.309251 0.000231 4 0.110313 0.104303 5 0.048874 2.112288 6 0.021768 -1.974803 S 6 1 1.865990 -0.030846 2 0.725995 0.243037 3 0.309251 0.304338 4 0.110313 -3.800734 5 0.048874 5.123011 6 0.021768 -2.224756 S 1 1 0.028050 1.000000 P 3 1 1.534000 0.022786 2 0.274900 0.139102 3 0.073620 0.500375 P 1 1 0.024030 1.000000 D 1 1 0.123900 1.000000 '); INSERT INTO "data_tab" VALUES(7,'Co','COBALT S 8 1 27.936522 -0.007474 2 14.938011 0.211936 3 9.769645 -0.533263 4 2.251871 0.534471 5 1.088580 0.536750 6 0.516218 0.148044 7 0.106962 0.006975 8 0.038033 0.001213 S 8 1 27.936522 -0.000439 2 14.938011 -0.040887 3 9.769645 0.123856 4 2.251871 -0.148786 5 1.088580 -0.279173 6 0.516218 -0.040667 7 0.106962 0.707853 8 0.038033 0.405219 S 8 1 27.936522 -0.033770 2 14.938011 0.003260 3 9.769645 0.314156 4 2.251871 -1.179802 5 1.088580 -0.118347 6 0.516218 1.122775 7 0.106962 0.645616 8 0.038033 -1.134673 S 8 1 27.936522 0.089581 2 14.938011 -0.217837 3 9.769645 -0.222945 4 2.251871 2.575928 5 1.088580 -2.608916 6 0.516218 -0.032275 7 0.106962 1.752589 8 0.038033 -1.413735 S 1 1 0.019000 1.000000 P 7 1 16.310172 0.017617 2 12.545701 -0.067242 3 4.409154 0.253781 4 2.172600 0.411786 5 1.075832 0.341583 6 0.516678 0.127173 7 0.205354 0.011320 P 7 1 16.310172 -0.013146 2 12.545701 0.059393 3 4.409154 -0.315138 4 2.172600 -0.308179 5 1.075832 0.062335 6 0.516678 0.340591 7 0.205354 0.413074 P 7 1 16.310172 0.018811 2 12.545701 -0.108632 3 4.409154 0.716760 4 2.172600 0.369047 5 1.075832 -0.842825 6 0.516678 -0.484736 7 0.205354 0.342593 P 7 1 16.310172 0.104869 2 12.545701 -0.044141 3 4.409154 -1.507678 4 2.172600 1.329327 5 1.075832 0.865088 6 0.516678 -1.274437 7 0.205354 -0.486830 P 1 1 0.100000 1.000000 D 6 1 11.521032 0.083231 2 5.442077 0.265686 3 2.289843 0.343942 4 0.941792 0.336784 5 0.366714 0.239213 6 0.129496 0.088039 D 6 1 11.521032 -0.093570 2 5.442077 -0.352010 3 2.289843 -0.326266 4 0.941792 0.155939 5 0.366714 0.494779 6 0.129496 0.346994 D 6 1 11.521032 -0.106734 2 5.442077 -0.533766 3 2.289843 0.015711 4 0.941792 0.816938 5 0.366714 -0.104448 6 0.129496 -0.595625 D 1 1 0.065000 1.000000 F 1 1 1.323864 1.000000 F 1 1 4.794396 1.000000 G 1 1 3.912260 1.000000 '); INSERT INTO "data_tab" VALUES(7,'Sr','STRONTIUM S 9 1 12.537926 0.056019 2 9.644559 -0.319559 3 7.418891 0.496897 4 3.106116 -0.693521 5 0.731407 0.559915 6 0.421768 0.476488 7 0.236198 0.239153 8 0.057380 0.010270 9 0.023248 0.000444 S 9 1 12.537926 -0.009645 2 9.644559 0.074660 3 7.418891 -0.133872 4 3.106116 0.221481 5 0.731407 -0.178482 6 0.421768 -0.367483 7 0.236198 -0.143888 8 0.057380 0.819749 9 0.023248 0.378443 S 9 1 12.537926 -0.016059 2 9.644559 -0.036282 3 7.418891 0.162875 4 3.106116 -0.403863 5 0.731407 0.657318 6 0.421768 0.725036 7 0.236198 -0.864069 8 0.057380 -1.614344 9 0.023248 1.741258 S 9 1 12.537926 -0.125134 2 9.644559 0.156435 3 7.418891 0.213703 4 3.106116 -1.061274 5 0.731407 4.359650 6 0.421768 -3.467142 7 0.236198 -0.891330 8 0.057380 2.086032 9 0.023248 -1.282998 P 8 1 8.031300 -0.027375 2 6.169712 0.134451 3 4.737447 -0.141446 4 2.557380 -0.288234 5 1.958905 0.251489 6 0.755919 0.484837 7 0.346062 0.478923 8 0.144393 0.116113 P 8 1 8.031300 -0.076563 2 6.169712 0.260116 3 4.737447 -0.361526 4 2.557380 1.223168 5 1.958905 -1.150741 6 0.755919 -0.648497 7 0.346062 0.005398 8 0.144393 1.027073 P 8 1 8.031300 0.054262 2 6.169712 -0.233234 3 4.737447 0.166259 4 2.557380 1.433437 5 1.958905 -1.749155 6 0.755919 -1.304300 7 0.346062 2.787813 8 0.144393 -1.637281 P 8 1 8.031300 0.443890 2 6.169712 -1.457695 3 4.737447 1.808789 4 2.557380 -7.120063 5 1.958905 9.464353 6 0.755919 -5.409259 7 0.346062 3.647445 8 0.144393 -1.200652 D 7 1 2.597486 -0.123249 2 2.259068 0.131478 3 0.851914 0.183936 4 0.374411 0.259131 5 0.151068 0.324639 6 0.058848 0.377687 7 0.022210 0.198546 D 7 1 2.597486 -0.393968 2 2.259068 0.421141 3 0.851914 0.667093 4 0.374411 0.283968 5 0.151068 -0.248146 6 0.058848 -0.332207 7 0.022210 -0.173660 D 7 1 2.597486 1.630523 2 2.259068 -2.017227 3 0.851914 -0.676016 4 0.374411 1.147224 5 0.151068 0.051300 6 0.058848 -0.345399 7 0.022210 -0.207316 S 1 1 0.018536 1.000000 P 1 1 0.206837 1.000000 D 1 1 0.434602 1.000000 F 1 1 0.988286 1.000000 '); INSERT INTO "data_tab" VALUES(7,'Mg','MAGNESIUM S 6 1 1.478260 0.044288 2 0.730245 -0.302453 3 0.310223 0.115083 4 0.092031 0.665354 5 0.043335 0.341308 6 0.019667 0.055695 S 6 1 1.478260 0.125665 2 0.730245 -0.856674 3 0.310223 1.205157 4 0.092031 1.223081 5 0.043335 -1.734563 6 0.019667 0.022266 S 6 1 1.478260 0.008241 2 0.730245 -1.118360 3 0.310223 3.295080 4 0.092031 -4.237659 5 0.043335 2.590640 6 0.019667 -0.070145 P 6 1 1.152482 -0.033073 2 0.480621 -0.143375 3 0.284194 0.316043 4 0.114904 0.557585 5 0.060492 0.303614 6 0.018183 0.021914 P 6 1 1.152482 -0.091813 2 0.480621 -0.493346 3 0.284194 1.772705 4 0.114904 -0.358226 5 0.060492 -0.751459 6 0.018183 -0.035985 S 1 1 0.039990 1.000000 D 1 1 0.187000 1.000000 '); INSERT INTO "data_tab" VALUES(7,'Fe','IRON S 8 1 25.882657 -0.010318 2 14.037755 0.230364 3 9.007794 -0.566551 4 2.068350 0.544437 5 0.993498 0.540001 6 0.471151 0.143115 7 0.102489 0.007386 8 0.036902 0.001869 S 8 1 25.882657 0.000341 2 14.037755 -0.047646 3 9.007794 0.136465 4 2.068350 -0.153371 5 0.993498 -0.288555 6 0.471151 -0.044212 7 0.102489 0.704768 8 0.036902 0.415407 S 8 1 25.882657 -0.030967 2 14.037755 -0.034192 3 9.007794 0.383443 4 2.068350 -1.259192 5 0.993498 -0.098913 6 0.471151 1.194321 7 0.102489 0.555024 8 0.036902 -1.077563 S 8 1 25.882657 0.429968 2 14.037755 -1.786544 3 9.007794 1.482641 4 2.068350 2.684004 5 0.993498 -6.152490 6 0.471151 4.806621 7 0.102489 -2.134831 8 0.036902 0.805728 S 1 1 0.017500 1.000000 P 7 1 16.659389 0.007223 2 10.450653 -0.070315 3 4.183289 0.229161 4 2.117962 0.393199 5 1.064494 0.361596 6 0.514743 0.154139 7 0.210442 0.016498 P 7 1 16.659389 -0.005560 2 10.450653 0.063506 3 4.183289 -0.276956 4 2.117962 -0.321479 5 1.064494 -0.004808 6 0.514743 0.330833 7 0.210442 0.357095 P 7 1 16.659389 0.008185 2 10.450653 -0.125348 3 4.183289 0.657186 4 2.117962 0.505908 5 1.064494 -0.773757 6 0.514743 -0.592779 7 0.210442 0.185315 P 7 1 16.659389 0.037533 2 10.450653 0.089805 3 4.183289 -1.569597 4 2.117962 1.106861 5 1.064494 1.129157 6 0.514743 -1.167998 7 0.210442 -0.795499 P 1 1 0.105000 1.000000 D 6 1 10.232413 0.081591 2 4.841151 0.263190 3 2.039827 0.342856 4 0.840565 0.338326 5 0.328485 0.240730 6 0.116926 0.088375 D 6 1 10.232413 -0.086500 2 4.841151 -0.339738 3 2.039827 -0.328882 4 0.840565 0.130025 5 0.328485 0.494941 6 0.116926 0.365933 D 6 1 10.232413 -0.101424 2 4.841151 -0.548492 3 2.039827 -0.002091 4 0.840565 0.828457 5 0.328485 -0.088206 6 0.116926 -0.590958 D 1 1 0.058000 1.000000 F 1 1 1.340407 1.000000 F 1 1 4.502410 1.000000 G 1 1 3.599562 1.000000 '); 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INSERT INTO "data_tab" VALUES(8,'Ca','CALCIUM S 8 1 13.477361 -0.068812 2 10.366318 0.195841 3 4.451759 -0.499643 4 1.034535 0.486822 5 0.564680 0.488475 6 0.301117 0.248699 7 0.067769 0.012110 8 0.026665 0.000284 S 8 1 13.477361 0.015699 2 10.366318 -0.049635 3 4.451759 0.145436 4 1.034535 -0.147502 5 0.564680 -0.288572 6 0.301117 -0.173348 7 0.067769 0.762592 8 0.026665 0.417691 S 8 1 13.477361 -0.006948 2 10.366318 0.056970 3 4.451759 -0.266642 4 1.034535 0.537766 5 0.564680 0.557346 6 0.301117 -0.600386 7 0.067769 -1.666858 8 0.026665 1.730097 S 8 1 13.477361 0.044286 2 10.366318 0.050856 3 4.451759 -0.712139 4 1.034535 3.410218 5 0.564680 -2.419355 6 0.301117 -1.067876 7 0.067769 1.860022 8 0.026665 -1.143686 S 8 1 13.477361 -0.921727 2 10.366318 1.420992 3 4.451759 -0.257945 4 1.034535 -5.485149 5 0.564680 11.036964 6 0.301117 -7.473783 7 0.067769 2.506560 8 0.026665 -1.146327 P 7 1 7.675629 0.027362 2 5.900655 -0.084484 3 2.665766 -0.076649 4 2.044642 0.276402 5 0.918736 0.457956 6 0.421800 0.386995 7 0.176537 0.089635 P 7 1 7.675629 -0.006243 2 5.900655 0.048318 3 2.665766 0.507648 4 2.044642 -1.036016 5 0.918736 -0.312149 6 0.421800 0.190137 7 0.176537 0.856880 P 7 1 7.675629 -0.143357 2 5.900655 0.357390 3 2.665766 -0.230640 4 2.044642 -0.669554 5 0.918736 -0.480028 6 0.421800 2.213388 7 0.176537 -1.590456 P 7 1 7.675629 0.058709 2 5.900655 0.165904 3 2.665766 -0.848016 4 2.044642 -1.519120 5 0.918736 4.069132 6 0.421800 -3.376440 7 0.176537 1.237197 P 7 1 7.675629 -0.469099 2 5.900655 0.136810 3 2.665766 11.935066 4 2.044642 -15.506656 5 0.918736 6.743602 6 0.421800 -3.357922 7 0.176537 0.946169 D 6 1 5.262963 0.040805 2 2.239047 0.180718 3 0.848828 0.299968 4 0.301758 0.306863 5 0.100864 0.372598 6 0.032751 0.268735 D 6 1 5.262963 0.038233 2 2.239047 0.386451 3 0.848828 0.541224 4 0.301758 -0.149400 5 0.100864 -0.398345 6 0.032751 -0.278415 D 6 1 5.262963 -0.005744 2 2.239047 -0.907685 3 0.848828 0.505431 4 0.301758 0.676700 5 0.100864 -0.408355 6 0.032751 -0.242543 D 6 1 5.262963 -0.148799 2 2.239047 -0.740245 3 0.848828 1.361242 4 0.301758 -0.985972 5 0.100864 -0.143122 6 0.032751 0.651668 S 1 1 0.026301 1.000000 P 1 1 0.027772 1.000000 D 1 1 0.053700 1.000000 F 1 1 0.488300 1.000000 F 1 1 0.116500 1.000000 G 1 1 0.146600 1.000000 '); INSERT INTO "data_tab" VALUES(8,'Ti','TITANIUM S 8 1 15.219933 -0.073265 2 11.699608 0.235541 3 5.687890 -0.550536 4 1.336288 0.594155 5 0.624474 0.540870 6 0.295808 0.112045 7 0.076436 0.007476 8 0.029425 0.002550 S 8 1 15.219933 0.013450 2 11.699608 -0.052264 3 5.687890 0.146213 4 1.336288 -0.175669 5 0.624474 -0.328641 6 0.295808 -0.040926 7 0.076436 0.732596 8 0.029425 0.402040 S 8 1 15.219933 -0.031752 2 11.699608 -0.047623 3 5.687890 0.467057 4 1.336288 -1.441960 5 0.624474 0.064029 6 0.295808 1.247941 7 0.076436 0.439242 8 0.029425 -1.071834 S 8 1 15.219933 0.218320 2 11.699608 -0.247574 3 5.687890 -0.446350 4 1.336288 3.082414 5 0.624474 -3.762793 6 0.295808 0.834080 7 0.076436 1.745087 8 0.029425 -1.609358 S 8 1 15.219933 1.388743 2 11.699608 -2.346606 3 5.687890 1.066202 4 1.336288 2.494357 5 0.624474 -6.218348 6 0.295808 5.573711 7 0.076436 -3.234025 8 0.029425 1.721845 S 1 1 0.015000 1.000000 P 7 1 10.379118 0.020139 2 7.983937 -0.041713 3 6.141490 -0.055348 4 2.303689 0.302880 5 1.071753 0.469056 6 0.489880 0.321537 7 0.203240 0.059823 P 7 1 10.379118 -0.026727 2 7.983937 0.062910 3 6.141490 0.030277 4 2.303689 -0.360398 5 1.071753 -0.351747 6 0.489880 0.285495 7 0.203240 0.209200 P 7 1 10.379118 -0.027196 2 7.983937 0.046963 3 6.141490 0.132917 4 2.303689 -0.967489 5 1.071753 -0.049570 6 0.489880 1.032371 7 0.203240 0.339639 P 7 1 10.379118 -0.454481 2 7.983937 1.483150 3 6.141490 -1.151116 4 2.303689 -1.513356 5 1.071753 2.250354 6 0.489880 -0.353750 7 0.203240 -1.724932 P 7 1 10.379118 1.620289 2 7.983937 -5.832172 3 6.141490 5.768479 4 2.303689 -1.251463 5 1.071753 -1.431923 6 0.489880 3.248779 7 0.203240 -3.349661 P 1 1 0.100000 1.000000 D 6 1 6.490086 0.059096 2 2.981939 0.226612 3 1.253123 0.323168 4 0.508429 0.354961 5 0.196258 0.285475 6 0.070470 0.114711 D 6 1 6.490086 -0.050402 2 2.981939 -0.335530 3 1.253123 -0.400756 4 0.508429 0.083919 5 0.196258 0.478069 6 0.070470 0.376742 D 6 1 6.490086 -0.013220 2 2.981939 -0.584162 3 1.253123 -0.113546 4 0.508429 0.898000 5 0.196258 -0.079932 6 0.070470 -0.602523 D 6 1 6.490086 -0.181592 2 2.981939 -0.981880 3 1.253123 1.426799 4 0.508429 -0.322724 5 0.196258 -0.700484 6 0.070470 0.629163 D 1 1 0.035000 1.000000 F 1 1 0.412936 1.000000 F 1 1 1.318974 1.000000 F 1 1 3.218988 1.000000 G 1 1 1.198889 1.000000 G 1 1 3.118753 1.000000 H 1 1 2.558085 1.000000 '); INSERT INTO "data_tab" VALUES(8,'Na','SODIUM S 6 1 1.478260 0.016543 2 0.730245 -0.070302 3 0.310223 -0.112523 4 0.092031 0.249490 5 0.043335 -0.049536 6 0.019667 0.919011 S 6 1 1.478260 0.047476 2 0.730245 -0.203137 3 0.310223 -0.054702 4 0.092031 0.305867 5 0.043335 1.913205 6 0.019667 -1.942172 S 6 1 1.478260 -0.141159 2 0.730245 0.624950 3 0.310223 -0.305184 4 0.092031 -3.427996 5 0.043335 5.157414 6 0.019667 -2.323563 S 6 1 1.478260 0.525461 2 0.730245 -2.551559 3 0.310223 4.755408 4 0.092031 -5.892065 5 0.043335 5.132835 6 0.019667 -1.748376 S 1 1 0.023070 1.000000 P 6 1 1.191176 0.008098 2 0.688275 -0.046550 3 0.158308 -0.009617 4 0.094423 0.244709 5 0.036269 0.617743 6 0.014748 0.251068 P 6 1 1.191176 0.040009 2 0.688275 -0.174299 3 0.158308 0.297309 4 0.094423 1.054921 5 0.036269 -0.693321 6 0.014748 -0.360859 P 6 1 1.191176 0.049373 2 0.688275 -0.316164 3 0.158308 3.096768 4 0.094423 -3.109690 5 0.036269 0.145766 6 0.014748 0.651657 D 1 1 0.136700 1.000000 D 1 1 0.063600 1.000000 F 1 1 0.139700 1.000000 '); INSERT INTO "data_tab" VALUES(8,'Be','BERYLLIUM S 6 1 1.534946 0.031822 2 1.126766 -0.284692 3 0.791542 0.134293 4 0.178640 0.447713 5 0.073776 0.501301 6 0.032780 0.143845 S 6 1 1.534946 0.371714 2 1.126766 -1.460040 3 0.791542 1.125926 4 0.178640 1.598045 5 0.073776 -1.306671 6 0.032780 -0.328239 S 6 1 1.534946 1.888350 2 1.126766 -6.876878 3 0.791542 6.623484 4 0.178640 -1.836895 5 0.073776 -0.300817 6 0.032780 1.035726 S 6 1 1.534946 -2.442333 2 1.126766 3.460239 3 0.791542 0.148521 4 0.178640 -3.441646 5 0.073776 4.916180 6 0.032780 -2.706087 S 1 1 0.058900 1.000000 P 3 1 3.619000 0.029105 2 0.711000 0.169466 3 0.195100 0.512969 P 1 1 0.143800 1.000000 P 1 1 0.049940 1.000000 D 1 1 0.180300 1.000000 D 1 1 0.348000 1.000000 F 1 1 0.325000 1.000000 '); INSERT INTO "data_tab" VALUES(8,'K','POTASSIUM S 8 1 12.069048 -0.070763 2 9.279420 0.193428 3 3.843824 -0.493653 4 0.980495 0.365802 5 0.507987 0.597102 6 0.235140 0.269210 7 0.038580 0.004569 8 0.016566 -0.001158 S 8 1 12.069048 0.013322 2 9.279420 -0.039190 3 3.843824 0.111796 4 0.980495 -0.089775 5 0.507987 -0.205832 6 0.235140 -0.178814 7 0.038580 0.722698 8 0.016566 0.404078 S 8 1 12.069048 -0.070942 2 9.279420 0.237264 3 3.843824 -0.832982 4 0.980495 2.382744 5 0.507987 -0.673282 6 0.235140 -1.321024 7 0.038580 0.256722 8 0.016566 0.200108 S 8 1 12.069048 -0.676705 2 9.279420 0.981397 3 3.843824 0.157663 4 0.980495 -4.793247 5 0.507987 7.530417 6 0.235140 -3.931210 7 0.038580 0.344567 8 0.016566 0.214648 S 8 1 12.069048 3.855148 2 9.279420 -6.361399 3 3.843824 4.304962 4 0.980495 -3.593827 5 0.507987 2.455262 6 0.235140 0.029479 7 0.038580 -1.678517 8 0.016566 1.479492 P 7 1 7.064005 0.026186 2 5.416953 -0.071147 3 2.711517 -0.143338 4 2.078824 0.267792 5 0.854092 0.438107 6 0.374019 0.435410 7 0.154283 0.129704 P 7 1 7.064005 -0.020278 2 5.416953 0.058346 3 2.711517 0.636570 4 2.078824 -1.049953 5 0.854092 -0.752403 6 0.374019 0.731023 7 0.154283 0.490763 P 7 1 7.064005 0.056535 2 5.416953 -0.182992 3 2.711517 -0.820658 4 2.078824 2.129538 5 0.854092 -0.701656 6 0.374019 -1.213006 7 0.154283 1.325680 P 7 1 7.064005 -0.052045 2 5.416953 0.351154 3 2.711517 -0.198625 4 2.078824 -2.045908 5 0.854092 3.768536 6 0.374019 -3.432447 7 0.154283 1.536047 P 7 1 7.064005 0.317572 2 5.416953 -1.767431 3 2.711517 14.615325 4 2.078824 -16.279295 5 0.854092 5.501568 6 0.374019 -2.784944 7 0.154283 0.858224 D 6 1 2.800270 0.032813 2 0.814743 0.081949 3 0.214162 0.087435 4 0.052469 0.259192 5 0.016177 0.660947 6 0.005297 0.221836 D 6 1 2.800270 0.280064 2 0.814743 0.749156 3 0.214162 0.132601 4 0.052469 -0.071315 5 0.016177 -0.117915 6 0.005297 -0.046267 D 6 1 2.800270 -0.692360 2 0.814743 0.054140 3 0.214162 0.860364 4 0.052469 -0.224203 5 0.016177 -0.015374 6 0.005297 -0.066302 D 6 1 2.800270 0.949204 2 0.814743 -1.163227 3 0.214162 0.913016 4 0.052469 -0.114406 5 0.016177 -0.062331 6 0.005297 -0.050799 S 1 1 0.018206 1.000000 P 1 1 0.174519 1.000000 D 1 1 0.070000 1.000000 F 1 1 0.204000 1.000000 F 1 1 0.068000 1.000000 G 1 1 0.888000 1.000000 '); INSERT INTO "data_tab" VALUES(8,'He','HELIUM S 6 1 14.724593 0.035459 2 5.876024 0.096816 3 2.184104 0.214521 4 0.859307 0.340033 5 0.346900 0.349025 6 0.140004 0.133138 S 6 1 14.724593 -0.057627 2 5.876024 -0.205015 3 2.184104 -0.625120 4 0.859307 -0.249861 5 0.346900 0.718294 6 0.140004 0.368902 S 6 1 14.724593 -0.104628 2 5.876024 -0.758661 3 2.184104 -0.418641 4 0.859307 1.932151 5 0.346900 -0.644297 6 0.140004 -0.560811 S 1 1 0.297600 1.000000 P 1 1 5.994000 1.000000 P 1 1 1.745000 1.000000 P 1 1 0.560000 1.000000 D 1 1 4.299000 1.000000 D 1 1 1.223000 1.000000 F 1 1 2.680000 1.000000 '); INSERT INTO "data_tab" VALUES(8,'Cr','CHROMIUM S 8 1 20.873522 -0.018325 2 12.659846 0.201956 3 7.354468 -0.536231 4 1.649421 0.566443 5 0.787288 0.532355 6 0.374416 0.127019 7 0.091528 0.007694 8 0.033937 0.002901 S 8 1 20.873522 0.002335 2 12.659846 -0.045706 3 7.354468 0.140403 4 1.649421 -0.174037 5 0.787288 -0.303901 6 0.374416 -0.042007 7 0.091528 0.705589 8 0.033937 0.424512 S 8 1 20.873522 -0.036655 2 12.659846 -0.029926 3 7.354468 0.423092 4 1.649421 -1.499751 5 0.787288 0.165705 6 0.374416 1.210049 7 0.091528 0.386886 8 0.033937 -0.996321 S 8 1 20.873522 0.129840 2 12.659846 -0.235286 3 7.354468 -0.277227 4 1.649421 2.934469 5 0.787288 -3.649836 6 0.374416 0.800115 7 0.091528 1.697296 8 0.033937 -1.562651 S 8 1 20.873522 0.639757 2 12.659846 -1.921269 3 7.354468 1.489592 4 1.649421 2.333281 5 0.787288 -5.963462 6 0.374416 5.188380 7 0.091528 -2.795759 8 0.033937 1.354657 S 1 1 0.017000 1.000000 P 7 1 18.121991 0.001927 2 7.510490 -0.101677 3 4.409955 0.147326 4 2.158933 0.363875 5 1.057519 0.420813 6 0.501316 0.223477 7 0.210059 0.031914 P 7 1 18.121991 -0.002319 2 7.510490 0.105040 3 4.409955 -0.185359 4 2.158933 -0.399926 5 1.057519 -0.132928 6 0.501316 0.338694 7 0.210059 0.261723 P 7 1 18.121991 0.004053 2 7.510490 -0.208320 3 4.409955 0.412232 4 2.158933 0.836587 5 1.057519 -0.523185 6 0.501316 -0.791625 7 0.210059 -0.067599 P 7 1 18.121991 -0.008795 2 7.510490 0.477214 3 4.409955 -1.520743 4 2.158933 0.051536 5 1.057519 1.847344 6 0.501316 -0.964678 7 0.210059 -1.210775 P 7 1 18.121991 0.067259 2 7.510490 0.232599 3 4.409955 -2.573728 4 2.158933 3.554905 5 1.057519 -1.415443 6 0.501316 -1.415038 7 0.210059 2.671861 P 1 1 0.105000 1.000000 D 6 1 8.430220 0.074668 2 3.951450 0.244538 3 1.658641 0.337668 4 0.684856 0.347566 5 0.269935 0.255319 6 0.098084 0.093373 D 6 1 8.430220 -0.077497 2 3.951450 -0.344496 3 1.658641 -0.362186 4 0.684856 0.128854 5 0.269935 0.490414 6 0.098084 0.357756 D 6 1 8.430220 -0.065325 2 3.951450 -0.567648 3 1.658641 -0.038105 4 0.684856 0.873066 5 0.269935 -0.117794 6 0.098084 -0.597830 D 6 1 8.430220 -0.238828 2 3.951450 -0.854329 3 1.658641 1.385147 4 0.684856 -0.327994 5 0.269935 -0.738872 6 0.098084 0.651519 D 1 1 0.049000 1.000000 F 1 1 0.550420 1.000000 F 1 1 1.743525 1.000000 F 1 1 4.486405 1.000000 G 1 1 1.455987 1.000000 G 1 1 3.945120 1.000000 H 1 1 3.164456 1.000000 '); CREATE TABLE format_tab(format TEXT); INSERT INTO "format_tab" VALUES('BFD-Pseudo'); DELETE FROM sqlite_sequence; INSERT INTO "sqlite_sequence" VALUES('basis_tab',5); CREATE VIEW output_tab AS SELECT basis_id, name, description, elt, data FROM basis_tab NATURAL JOIN data_tab; COMMIT;