%chk=000169970.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169970

0 1
 S  -0.6935000       1.999300       1.711000    
 O    4.348300      0.3223000     -0.9274000    
 N  -0.5021000      4.8500001E-02 -0.7021000    
 N  -0.2027000      -3.719600       1.360900    
 C   2.2700001E-02  -2.387500     -0.7281000    
 C  -0.4610000      -1.165000      -1.528200    
 C  -0.7753000      -2.638900      0.5656000    
 C   0.7322000      0.5511000     -0.2182000    
 C   -1.765300      0.6618000     -0.5058000    
 C   2.0700000E-02  -3.652000      -1.594700    
 C   0.7745000       1.461300      0.8565000    
 C   -1.970600       1.582900      0.5405000    
 C    1.966100      0.1963000     -0.8062000    
 C   -2.859800      0.4104000      -1.362000    
 C    2.001000       1.962200       1.327700    
 C   -3.223500       2.193900      0.7262000    
 C    3.182000      0.7009000     -0.3370000    
 C    3.199800       1.582200      0.7333000    
 C   -4.101500       1.024100      -1.175900    
 C   -4.284500       1.914300     -0.1286000    
 C  -0.9609000      -3.918500       2.587600    
 C    5.553500      0.8701000     -0.3949000    
 H    1.067000      -2.229700     -0.4346000    
 H   0.1452000      -1.005400      -2.428500    
 H   -1.431300      -1.473200      -1.919700    
 H   -1.815100      -2.874300      0.3055000    
 H  -0.7887000      -1.728500       1.175200    
 H   0.4920000      -4.497600      -1.083800    
 H   0.5806000      -3.482000      -2.520900    
 H  -0.9992000      -3.943700      -1.867900    
 H    2.017500     -0.4708000      -1.662400    
 H   0.7648000      -3.497400       1.593500    
 H   -2.788600     -0.2161000      -2.244900    
 H    2.034000       2.655800       2.165800    
 H   -3.385900       2.897000       1.540700    
 H    4.102700       2.011500       1.152900    
 H   -4.918200      0.8147000      -1.860700    
 H   -5.246700       2.394800      1.9500000E-02
 H  -0.9466000      -3.024600       3.219600    
 H  -0.5192000      -4.740700       3.159100    
 H   -1.999800      -4.189100       2.372600    
 H    5.713700      0.5574000      0.6426000    
 H    5.585900       1.958900     -0.5099000    
 H    6.381700      0.4617000     -0.9832000    


%chk=000169970-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169970

0 1
S -0.807504 1.612307 2.016127
O 4.216698 0.454304 -1.137594
N -0.569521 -0.055868 -0.532098
N -0.161081 -3.852087 1.561065
C 0.045996 -2.516609 -0.536839
C -0.559006 -1.316133 -1.313602
C -0.846744 -2.887340 0.671535
C 0.671713 0.508039 -0.109857
C -1.757719 0.739375 -0.482824
C 0.235512 -3.717843 -1.488675
C 0.715429 1.380584 1.016993
C -1.997314 1.610526 0.617403
C 1.877498 0.243959 -0.801276
C -2.724200 0.705366 -1.525449
C 1.921618 1.981400 1.412028
C -3.155613 2.409456 0.679895
C 3.096646 0.819361 -0.370865
C 3.132835 1.699885 0.736256
C -3.904545 1.475795 -1.444441
C -4.128741 2.331315 -0.343345
C -0.997907 -4.359755 2.665559
C 5.506290 1.038905 -0.765578
H 1.040622 -2.219300 -0.146465
H -0.030310 -1.190996 -2.282722
H -1.607003 -1.566554 -1.552124
H -1.774392 -3.372267 0.301941
H -1.155115 -1.954244 1.203708
H 0.544933 -4.601897 -0.905872
H 1.002278 -3.513488 -2.259654
H -0.711894 -3.966337 -2.006758
H 1.901537 -0.399160 -1.684124
H 0.725675 -3.459370 1.907792
H -2.548903 0.089743 -2.412856
H 1.924975 2.660875 2.270798
H -3.300386 3.078347 1.535017
H 4.063619 2.159935 1.077532
H -4.638530 1.419567 -2.255799
H -5.038719 2.936801 -0.282409
H -1.435133 -3.563504 3.316861
H -0.402219 -5.037539 3.302816
H -1.838827 -4.945975 2.249841
H 5.803989 0.740427 0.258724
H 5.483578 2.143939 -0.837098
H 6.225783 0.634853 -1.492865


