%chk=000161751.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161751

0 1
 S    2.401100      0.8876000      7.5300001E-02
 O    1.547300      -1.569400     -0.3613000    
 N  -3.2400001E-02  0.1404000     -0.3448000    
 C   -1.214500     -0.6509000     -0.6045000    
 C   -1.819200      -1.182100      0.6994000    
 C   -2.245400      0.1467000      -1.410400    
 C   -2.488000     -8.2699999E-02   1.524500    
 C   -2.913500       1.244100     -0.5818000    
 C   -3.517300      0.6893000      0.7046000    
 C    1.234100     -0.3915000     -0.2478000    
 C    3.929800     -7.1000002E-02  0.1506000    
 C    5.118000      0.8393000      0.3964000    
 H  -0.8991000      -1.511400      -1.207800    
 H   -1.051200      -1.675100       1.307400    
 H   -2.569600      -1.945800      0.4578000    
 H   -3.019900     -0.5393000      -1.776400    
 H   -1.774300      0.5946000      -2.293700    
 H   -1.727000      0.6104000       1.903200    
 H   -2.975000     -0.5270000       2.400000    
 H   -3.700000       1.721800      -1.177400    
 H   -2.186400       2.027600     -0.3381000    
 H   -4.356000      2.7000001E-02  0.4570000    
 H   -3.926100       1.510300       1.304400    
 H  -0.1366000       1.136900     -0.1802000    
 H    3.858100     -0.8078000      0.9570000    
 H    4.070500     -0.6079000     -0.7931000    
 H    5.235600       1.574000     -0.4075000    
 H    5.024800       1.375000       1.347300    
 H    6.038300      0.2473000      0.4398000    


%chk=000161751-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161751

0 1
S 2.494184 1.189719 -0.851948
O 1.614079 -1.412798 -0.385440
N -0.033614 0.209178 -0.714838
C -1.189630 -0.720591 -0.612732
C -1.531140 -1.045647 0.867486
C -2.409511 -0.107190 -1.342923
C -2.111499 0.177617 1.613947
C -3.004897 1.111497 -0.591723
C -3.344409 0.755156 0.876160
C 1.262522 -0.223999 -0.603853
C 4.078622 0.227527 -0.456167
C 4.544302 0.429017 0.991673
H -0.882115 -1.655373 -1.117392
H -0.624206 -1.426890 1.370590
H -2.275410 -1.868191 0.870806
H -3.186307 -0.893493 -1.414714
H -2.129660 0.165004 -2.378937
H -1.330636 0.960691 1.698667
H -2.384441 -0.108849 2.647435
H -3.908927 1.465931 -1.122484
H -2.291323 1.963185 -0.603674
H -4.159067 0.001418 0.884593
H -3.727641 1.647793 1.406842
H -0.211988 1.204171 -0.864973
H 3.824272 -0.828023 -0.657045
H 4.821007 0.576708 -1.192204
H 4.734055 1.493477 1.215362
H 3.786258 0.055074 1.701064
H 5.483219 -0.131716 1.166325


