%chk=000139804.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000139804

0 1
 S   -2.885400     -0.7448000      0.1193000    
 O  -0.1921000      -1.712200      0.6678000    
 N    1.087900      0.1074000      2.4800001E-02
 C    1.155400       1.465100     -0.5115000    
 C    2.375800     -0.4954000      0.3471000    
 C  -0.1266000     -0.5663000      0.2156000    
 C    1.097700       2.501200      0.5920000    
 C    2.949300      -1.245400     -0.8374000    
 C   -1.373900      0.2095000     -0.1717000    
 C   -4.088100      0.4811000     -0.4460000    
 H    2.087300       1.576600      -1.078000    
 H   0.3492000       1.647000      -1.225200    
 H    3.069600      0.2773000      0.6950000    
 H    2.231700      -1.200300       1.173700    
 H   0.1879000       2.416700       1.192400    
 H    1.948200       2.396900       1.273900    
 H    1.131100       3.509200      0.1668000    
 H    2.269100      -2.036400      -1.170600    
 H    3.121300     -0.5764000      -1.686600    
 H    3.904400      -1.707600     -0.5696000    
 H   -1.435500       1.130000      0.4110000    
 H   -1.337600      0.4320000      -1.241400    
 H   -3.918500      0.7248000      -1.498000    
 H   -4.019600       1.389400      0.1585000    
 H   -5.096200      7.0699997E-02 -0.3429000    


%chk=000139804-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000139804

0 1
S -2.901012 -0.832702 0.175228
O -0.154099 -1.731970 0.538849
N 1.073588 0.165980 -0.005391
C 1.187746 1.557203 -0.494568
C 2.329379 -0.529517 0.373532
C -0.122028 -0.534563 0.115559
C 1.252246 2.601575 0.643643
C 2.968810 -1.280922 -0.813269
C -1.401364 0.208780 -0.297409
C -4.200328 0.406699 -0.404480
H 2.102930 1.624162 -1.114026
H 0.342327 1.783684 -1.166639
H 3.028624 0.224535 0.781619
H 2.083944 -1.246065 1.175232
H 0.328530 2.587344 1.249162
H 2.101815 2.398473 1.319679
H 1.380630 3.618505 0.229063
H 2.286417 -2.069513 -1.172832
H 3.192757 -0.598318 -1.654082
H 3.915479 -1.758394 -0.500131
H -1.477216 1.190672 0.203851
H -1.417799 0.370879 -1.392214
H -4.107652 0.596842 -1.486760
H -4.122513 1.352900 0.156579
H -5.178813 -0.056169 -0.201195


