File: mpqcBasis

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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