NAtoms = 104 Atom H 40 H STO-2G H STO-3G H STO-3G* H STO-6G H MINI#(Huzinaga) H MINI#(Scaled) H MIDI#(Huzinaga) H DZ#(Dunning) H DZP#(Dunning) H DZP#+#Diffuse#(Dunning) H 3-21G H 3-21G* H 3-21++G H 3-21++G* H 4-31G H 4-31G* H 4-31G** H 6-31G H 6-31G* H 6-31G** H 6-31+G* H 6-31++G H 6-31++G* H 6-31++G** H 6-311G H 6-311G* H 6-311G** H 6-311G(2df,2pd) H 6-311++G** H 6-311++G(2d,2p) H 6-311++G(3df,3pd) H cc-pVDZ H cc-pVTZ H cc-pVQZ H cc-pV5Z H aug-cc-pVDZ H aug-cc-pVTZ H aug-cc-pVQZ H aug-cc-pV5Z H NASA#Ames#ANO Atom He 36 He STO-2G He STO-3G He STO-3G* He STO-6G He MINI#(Huzinaga) He MINI#(Scaled) He MIDI#(Huzinaga) He 3-21G He 3-21G* He 3-21++G He 3-21++G* He 4-31G He 4-31G* He 4-31G** He 6-31G He 6-31G* He 6-31G** He 6-31+G* He 6-31++G He 6-31++G* He 6-31++G** He 6-311G He 6-311G* He 6-311G** He 6-311G(2df,2pd) He 6-311++G** He 6-311++G(2d,2p) He 6-311++G(3df,3pd) He cc-pVDZ He cc-pVTZ He cc-pVQZ He cc-pV5Z He aug-cc-pVDZ He aug-cc-pVTZ He aug-cc-pVQZ He aug-cc-pV5Z Atom Li 31 Li STO-2G Li STO-3G Li STO-3G* Li STO-6G Li MINI#(Huzinaga) Li MINI#(Scaled) Li MIDI#(Huzinaga) Li DZ#(Dunning) Li DZP#(Dunning) Li 3-21G Li 3-21G* Li 3-21++G Li 3-21++G* Li 4-31G Li 4-31G* Li 4-31G** Li 6-31G Li 6-31G* Li 6-31G** Li 6-31+G* Li 6-31++G Li 6-31++G* Li 6-31++G** Li 6-311G Li 6-311G* Li 6-311G** Li 6-311G(2df,2pd) Li 6-311++G** Li 6-311++G(2d,2p) Li 6-311++G(3df,3pd) Li cc-pV5Z Atom Be 29 Be STO-2G Be STO-3G Be STO-3G* Be STO-6G Be MINI#(Huzinaga) Be MINI#(Scaled) Be MIDI#(Huzinaga) Be 3-21G Be 3-21G* Be 3-21++G Be 3-21++G* Be 4-31G Be 4-31G* Be 4-31G** Be 6-31G Be 6-31G* Be 6-31G** Be 6-31+G* Be 6-31++G Be 6-31++G* Be 6-31++G** Be 6-311G Be 6-311G* Be 6-311G** Be 6-311G(2df,2pd) Be 6-311++G** Be 6-311++G(2d,2p) Be 6-311++G(3df,3pd) Be cc-pV5Z Atom B 47 B STO-2G B STO-3G B STO-3G* B MINI#(Huzinaga) B MINI#(Scaled) B MIDI#(Huzinaga) B DZ#(Dunning) B DZP#(Dunning) B DZP#+#Diffuse#(Dunning) B 3-21G B 3-21G* B 3-21++G B 3-21++G* B 4-31G B 4-31G* B 4-31G** B 6-31G B 6-31G* B 6-31G** B 6-31+G* B 6-31++G B 6-31++G* B 6-31++G** B 6-311G B 6-311G* B 6-311G** B 6-311G(2df,2pd) B 6-311++G** B 6-311++G(2d,2p) B 6-311++G(3df,3pd) B cc-pVDZ B cc-pVTZ B cc-pVQZ B cc-pV5Z B aug-cc-pVDZ B aug-cc-pVTZ B aug-cc-pVQZ B aug-cc-pV5Z B cc-pCVDZ B cc-pCVTZ B cc-pCVQZ B cc-pCV5Z B aug-cc-pCVDZ B aug-cc-pCVTZ B aug-cc-pCVQZ B aug-cc-pCV5Z B NASA#Ames#ANO Atom C 48 C STO-2G C STO-3G C STO-3G* C STO-6G C MINI#(Huzinaga) C MINI#(Scaled) C MIDI#(Huzinaga) C DZ#(Dunning) C DZP#(Dunning) C DZP#+#Diffuse#(Dunning) C 3-21G C 3-21G* C 3-21++G C 3-21++G* C 4-31G C 4-31G* C 4-31G** C 6-31G C 6-31G* C 6-31G** C 6-31+G* C 6-31++G C 6-31++G* C 6-31++G** C 6-311G C 6-311G* C 6-311G** C 6-311G(2df,2pd) C 6-311++G** C 6-311++G(2d,2p) C 6-311++G(3df,3pd) C cc-pVDZ C cc-pVTZ C cc-pVQZ C cc-pV5Z C aug-cc-pVDZ C aug-cc-pVTZ C aug-cc-pVQZ C aug-cc-pV5Z C cc-pCVDZ C cc-pCVTZ C cc-pCVQZ C cc-pCV5Z C aug-cc-pCVDZ C aug-cc-pCVTZ C aug-cc-pCVQZ C aug-cc-pCV5Z C NASA#Ames#ANO Atom N 48 N STO-2G N STO-3G N STO-3G* N STO-6G N MINI#(Huzinaga) N MINI#(Scaled) N MIDI#(Huzinaga) N DZ#(Dunning) N DZP#(Dunning) N DZP#+#Diffuse#(Dunning) N 3-21G N 3-21G* N 3-21++G N 3-21++G* N 4-31G N 4-31G* N 4-31G** N 6-31G N 6-31G* N 6-31G** N 6-31+G* N 6-31++G N 6-31++G* N 6-31++G** N 6-311G N 6-311G* N 6-311G** N 6-311G(2df,2pd) N 6-311++G** N 6-311++G(2d,2p) N 6-311++G(3df,3pd) N cc-pVDZ N cc-pVTZ N cc-pVQZ N cc-pV5Z N aug-cc-pVDZ N aug-cc-pVTZ N aug-cc-pVQZ N aug-cc-pV5Z N cc-pCVDZ N cc-pCVTZ N cc-pCVQZ N cc-pCV5Z N aug-cc-pCVDZ N aug-cc-pCVTZ N aug-cc-pCVQZ N aug-cc-pCV5Z N NASA#Ames#ANO Atom O 48 O STO-2G O STO-3G O STO-3G* O STO-6G O MINI#(Huzinaga) O MINI#(Scaled) O MIDI#(Huzinaga) O DZ#(Dunning) O DZP#(Dunning) O DZP#+#Diffuse#(Dunning) O 3-21G O 3-21G* O 3-21++G O 3-21++G* O 4-31G O 4-31G* O 4-31G** O 6-31G O 6-31G* O 6-31G** O 6-31+G* O 6-31++G O 6-31++G* O 6-31++G** O 6-311G O 6-311G* O 6-311G** O 6-311G(2df,2pd) O 6-311++G** O 6-311++G(2d,2p) O 6-311++G(3df,3pd) O cc-pVDZ O cc-pVTZ O cc-pVQZ O cc-pV5Z O aug-cc-pVDZ O aug-cc-pVTZ O aug-cc-pVQZ O aug-cc-pV5Z O cc-pCVDZ O cc-pCVTZ O cc-pCVQZ O cc-pCV5Z O aug-cc-pCVDZ O aug-cc-pCVTZ O aug-cc-pCVQZ O aug-cc-pCV5Z O NASA#Ames#ANO Atom F 48 F STO-2G F STO-3G F STO-3G* F STO-6G F MINI#(Huzinaga) F MINI#(Scaled) F MIDI#(Huzinaga) F DZ#(Dunning) F DZP#(Dunning) F DZP#+#Diffuse#(Dunning) F 3-21G F 3-21G* F 3-21++G F 3-21++G* F 4-31G F 4-31G* F 4-31G** F 6-31G F 6-31G* F 6-31G** F 6-31+G* F 6-31++G F 6-31++G* F 6-31++G** F 6-311G F 6-311G* F 6-311G** F 6-311G(2df,2pd) F 6-311++G** F 6-311++G(2d,2p) F 6-311++G(3df,3pd) F cc-pVDZ F cc-pVTZ F cc-pVQZ F cc-pV5Z F aug-cc-pVDZ F aug-cc-pVTZ F aug-cc-pVQZ F aug-cc-pV5Z F cc-pCVDZ F cc-pCVTZ F cc-pCVQZ F cc-pCV5Z F aug-cc-pCVDZ F aug-cc-pCVTZ F aug-cc-pCVQZ F aug-cc-pCV5Z F NASA#Ames#ANO Atom Ne 46 Ne STO-2G Ne STO-3G Ne STO-3G* Ne STO-6G Ne MINI#(Huzinaga) Ne MINI#(Scaled) Ne MIDI#(Huzinaga) Ne DZ#(Dunning) Ne DZP#(Dunning) Ne DZP#+#Diffuse#(Dunning) Ne 3-21G Ne 3-21G* Ne 3-21++G Ne 3-21++G* Ne 4-31G Ne 4-31G* Ne 4-31G** Ne 6-31G Ne 6-31G* Ne 6-31G** Ne 6-31+G* Ne 6-31++G Ne 6-31++G* Ne 6-31++G** Ne 6-311G Ne 6-311G* Ne 6-311G** Ne 6-311G(2df,2pd) Ne 6-311++G** Ne 6-311++G(2d,2p) Ne 6-311++G(3df,3pd) Ne cc-pVDZ Ne cc-pVTZ Ne cc-pVQZ Ne cc-pV5Z Ne aug-cc-pVDZ Ne aug-cc-pVTZ Ne aug-cc-pVQZ Ne aug-cc-pV5Z Ne cc-pCVDZ Ne cc-pCVTZ Ne cc-pCVQZ Ne cc-pCV5Z Ne aug-cc-pCVTZ Ne aug-cc-pCVQZ Ne NASA#Ames#ANO Atom Na 22 Na STO-2G Na STO-3G Na STO-3G* Na STO-6G Na MINI#(Huzinaga) Na MINI#(Scaled) Na MIDI#(Huzinaga) Na 3-21G Na 3-21G* Na 3-21++G Na 3-21++G* Na 6-31G Na 6-31G* Na 6-31G** Na 6-31+G* Na 6-31++G Na 6-31++G* Na 6-31++G** Na 6-311G Na 6-311G* Na 6-311G** Na 6-311++G(3df,3pd) Atom Mg 21 Mg STO-2G Mg STO-3G Mg STO-3G* Mg STO-6G Mg MINI#(Huzinaga) Mg MINI#(Scaled) Mg 3-21G Mg 3-21G* Mg 3-21++G Mg 3-21++G* Mg 6-31G Mg 6-31G* Mg 6-31G** Mg 6-31+G* Mg 6-31++G Mg 6-31++G* Mg 6-31++G** Mg 6-311G Mg 6-311G* Mg 6-311G** Mg 6-311++G(3df,3pd) Atom Al 32 Al STO-2G Al STO-3G Al STO-3G* Al STO-6G Al MINI#(Huzinaga) Al MINI#(Scaled) Al DZ#(Dunning) Al DZP#(Dunning) Al 3-21G Al 3-21G* Al 3-21++G Al 3-21++G* Al 6-31G Al 6-31G* Al 6-31G** Al 6-31+G* Al 6-31++G Al 6-31++G* Al 6-31++G** Al 6-311G Al 6-311G* Al 6-311G** Al 6-311++G(3df,3pd) Al cc-pVDZ Al cc-pVTZ Al cc-pVQZ Al cc-pV5Z Al aug-cc-pVDZ Al aug-cc-pVTZ Al aug-cc-pVQZ Al aug-cc-pV5Z Al NASA#Ames#ANO Atom Si 31 Si STO-2G Si STO-3G Si STO-3G* Si STO-6G Si MINI#(Huzinaga) Si MINI#(Scaled) Si DZ#(Dunning) Si DZP#(Dunning) Si 3-21G Si 3-21G* Si 3-21++G Si 3-21++G* Si 6-31G Si 6-31G* Si 6-31G** Si 6-31+G* Si 6-31++G Si 6-31++G* Si 6-31++G** Si 6-311G Si 6-311G* Si 6-311G** Si 6-311++G(3df,3pd) Si cc-pVDZ Si cc-pVTZ Si cc-pVQZ Si cc-pV5Z Si aug-cc-pVDZ Si aug-cc-pVTZ Si aug-cc-pVQZ Si aug-cc-pV5Z Atom P 35 P STO-2G P STO-3G P STO-3G* P STO-6G P MINI#(Huzinaga) P MINI#(Scaled) P DZ#(Dunning) P DZP#(Dunning) P 3-21G P 3-21G* P 3-21++G P 3-21++G* P 4-31G P 4-31G* P 4-31G** P 6-31G P 6-31G* P 6-31G** P 6-31+G* P 6-31++G P 6-31++G* P 6-31++G** P 6-311G P 6-311G* P 6-311G** P 6-311++G(3df,3pd) P cc-pVDZ P cc-pVTZ P cc-pVQZ P cc-pV5Z P aug-cc-pVDZ P aug-cc-pVTZ P aug-cc-pVQZ P aug-cc-pV5Z P NASA#Ames#ANO Atom S 34 S STO-2G S STO-3G S STO-3G* S STO-6G S MINI#(Huzinaga) S MINI#(Scaled) S DZ#(Dunning) S DZP#(Dunning) S 3-21G S 3-21G* S 3-21++G S 3-21++G* S 4-31G S 4-31G* S 4-31G** S 6-31G S 6-31G* S 6-31G** S 6-31+G* S 6-31++G S 6-31++G* S 6-31++G** S 6-311G S 6-311G* S 6-311G** S 6-311++G(3df,3pd) S cc-pVDZ S cc-pVTZ S cc-pVQZ S cc-pV5Z S aug-cc-pVDZ S aug-cc-pVTZ S aug-cc-pVQZ S aug-cc-pV5Z Atom Cl 34 Cl STO-2G Cl STO-3G Cl STO-3G* Cl STO-6G Cl MINI#(Huzinaga) Cl MINI#(Scaled) Cl DZ#(Dunning) Cl DZP#(Dunning) Cl 3-21G Cl 3-21G* Cl 3-21++G Cl 3-21++G* Cl 4-31G Cl 4-31G* Cl 4-31G** Cl 6-31G Cl 6-31G* Cl 6-31G** Cl 6-31+G* Cl 6-31++G Cl 6-31++G* Cl 6-31++G** Cl 6-311G Cl 6-311G* Cl 6-311G** Cl 6-311++G(3df,3pd) Cl cc-pVDZ Cl cc-pVTZ Cl cc-pVQZ Cl cc-pV5Z Cl aug-cc-pVDZ Cl aug-cc-pVTZ Cl aug-cc-pVQZ Cl aug-cc-pV5Z Atom Ar 29 Ar STO-2G Ar STO-3G Ar STO-3G* Ar STO-6G Ar MINI#(Huzinaga) Ar MINI#(Scaled) Ar 3-21G Ar 3-21G* Ar 3-21++G Ar 3-21++G* Ar 6-31G Ar 6-31G* Ar 6-31G** Ar 6-31+G* Ar 6-31++G Ar 6-31++G* Ar 6-31++G** Ar 6-311G Ar 6-311G* Ar 6-311G** Ar 6-311++G(3df,3pd) Ar cc-pVDZ Ar cc-pVTZ Ar cc-pVQZ Ar cc-pV5Z Ar aug-cc-pVDZ Ar aug-cc-pVTZ Ar aug-cc-pVQZ Ar aug-cc-pV5Z Atom K 6 K STO-2G K STO-3G K STO-6G K MINI#(Huzinaga) K MINI#(Scaled) K 3-21G Atom Ca 6 Ca STO-2G Ca STO-3G Ca STO-6G Ca MINI#(Huzinaga) Ca MINI#(Scaled) Ca 3-21G Atom Sc 3 Sc STO-3G Sc STO-6G Sc 3-21G Atom Ti 4 Ti STO-3G Ti STO-6G Ti 3-21G Ti NASA#Ames#ANO Atom V 3 V STO-3G V STO-6G V 3-21G Atom Cr 3 Cr STO-3G Cr STO-6G Cr 3-21G Atom Mn 3 Mn STO-3G Mn STO-6G Mn 3-21G Atom Fe 4 Fe STO-3G Fe STO-6G Fe 3-21G Fe NASA#Ames#ANO Atom Co 3 Co STO-3G Co STO-6G Co 3-21G Atom Ni 4 Ni STO-3G Ni STO-6G Ni 3-21G Ni NASA#Ames#ANO Atom Cu 3 Cu STO-3G Cu STO-6G Cu 3-21G Atom Zn 3 Zn STO-3G Zn STO-6G Zn 3-21G Atom Ga 8 Ga STO-3G Ga STO-6G Ga 3-21G Ga 6-311G Ga 6-311G* Ga 6-311G** Ga cc-pVDZ Ga cc-pVTZ Atom Ge 8 Ge STO-3G Ge STO-6G Ge 3-21G Ge 6-311G Ge 6-311G* Ge 6-311G** Ge cc-pVDZ Ge cc-pVTZ Atom As 8 As STO-3G As STO-6G As 3-21G As 6-311G As 6-311G* As 6-311G** As cc-pVDZ As cc-pVTZ Atom Se 8 Se STO-3G Se STO-6G Se 3-21G Se 6-311G Se 6-311G* Se 6-311G** Se cc-pVDZ Se cc-pVTZ Atom Br 7 Br STO-3G Br STO-6G Br 3-21G Br 6-311G Br 6-311G* Br 6-311G** Br cc-pVDZ Atom Kr 7 Kr STO-3G Kr STO-6G Kr 3-21G Kr 6-311G Kr 6-311G* Kr 6-311G** Kr cc-pVDZ Atom Rb 0 Atom Sr 0 Atom Y 0 Atom Zr 0 Atom Nb 0 Atom Mo 0 Atom Tc 0 Atom Ru 0 Atom Rh 0 Atom Pd 0 Atom Ag 0 Atom Cd 0 Atom In 0 Atom Sn 0 Atom Sb 0 Atom Te 0 Atom I 0 Atom Xe 0 Atom Cs 0 Atom Ba 0 Atom La 0 Atom Hf 0 Atom Ta 0 Atom W 0 Atom Re 0 Atom Os 0 Atom Ir 0 Atom Pt 0 Atom Au 0 Atom Hg 0 Atom Tl 0 Atom Pb 0 Atom Bi 0 Atom Po 0 Atom At 0 Atom Rn 0 Atom Fr 0 Atom Ra 0 Atom Ac 0 Atom Ce 0 Atom Pr 0 Atom Nd 0 Atom Pm 0 Atom Sm 0 Atom Eu 0 Atom Gd 0 Atom Tb 0 Atom Dy 0 Atom Ho 0 Atom Er 0 Atom Tm 0 Atom Yb 0 Atom Lu 0 Atom X 0 Atom Th 0 Atom Pa 0 Atom U 0 Atom Np 0 Atom Pu 0 Atom Am 0 Atom Cm 0 Atom Bk 0 Atom Cf 0 Atom Es 0 Atom Fm 0 Atom Md 0 Atom No 0 Atom Lr 0