%chk=000122113.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122113

0 1
 S  -0.6534000       2.603600     -0.1912000    
 S    4.237900      -3.533700     -0.1951000    
 O   0.3725000      -1.676900       1.162700    
 O    3.672700       2.083700     -0.5722000    
 O    2.358600       2.048000       1.290000    
 O   -3.033600      0.8202000       1.964900    
 N   0.6694000      0.3049000     -1.1200000E-02
 C    1.500900       1.209000     -0.8142000    
 C  -0.5988000      0.8944000      0.4476000    
 C   0.6310000       2.297700      -1.426600    
 C   -1.831000      0.1258000      1.0800000E-02
 C    1.046300     -0.9725000      0.4069000    
 C    2.527000       1.818200      0.1016000    
 C    2.356300      -1.493600     -0.1296000    
 C   -2.986300      0.1281000      0.7921000    
 C   -1.799700     -0.5882000      -1.186800    
 C    2.645600      -2.885400      0.4002000    
 C   -4.111000     -0.5841000      0.3754000    
 C   -2.924500      -1.300600      -1.603300    
 C   -4.080000      -1.298600     -0.8221000    
 H    2.017100      0.6397000      -1.593100    
 H  -0.5442000      0.9234000       1.542000    
 H    1.179000       3.215400      -1.658300    
 H   0.1459000       1.937300      -2.339300    
 H    3.159300     -0.8124000      0.1689000    
 H    2.297700      -1.520100      -1.223600    
 H  -0.9224000     -0.5982000      -1.827200    
 H    1.861600      -3.587300      9.5799997E-02
 H    2.677300      -2.884200       1.495200    
 H   -5.018100     -0.5912000      0.9739000    
 H   -2.902000      -1.853900      -2.537500    
 H   -4.955900      -1.852500      -1.147000    
 H    4.355100       2.482700      8.5000005E-03
 H   -3.911900      0.7047000       2.366400    
 H    3.932300      -3.517900      -1.500900    


%chk=000122113-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122113

0 1
S -0.566852 2.605213 0.190088
S 4.451891 -3.613105 -0.137760
O 0.472073 -1.684726 1.368519
O 3.250248 2.754826 -0.800677
O 2.996206 1.513237 1.147179
O -3.012273 0.922691 1.905472
N 0.689674 0.202769 0.042333
C 1.466738 1.128985 -0.799147
C -0.589336 0.721574 0.597192
C 0.476768 2.188632 -1.325421
C -1.818779 0.059055 0.013646
C 1.150710 -1.029199 0.523714
C 2.618303 1.791449 -0.004929
C 2.477081 -1.553226 -0.044032
C -3.051006 0.182654 0.710129
C -1.809763 -0.670018 -1.196007
C 2.772986 -2.971852 0.466931
C -4.237172 -0.399123 0.212081
C -2.989073 -1.253114 -1.711611
C -4.204325 -1.116508 -1.004401
H 1.932804 0.597814 -1.652427
H -0.592369 0.651484 1.695736
H 0.987842 3.094909 -1.675390
H -0.167491 1.772525 -2.116406
H 3.301440 -0.879757 0.255256
H 2.443070 -1.550080 -1.152781
H -0.858788 -0.802883 -1.723785
H 1.989237 -3.685562 0.172998
H 2.845069 -2.985426 1.564685
H -5.178390 -0.295659 0.767672
H -2.957795 -1.818383 -2.648714
H -5.123683 -1.569243 -1.390944
H 4.004507 3.162607 -0.295083
H -3.898258 0.942459 2.343748
H 4.099406 -3.729522 -1.474161


