%chk=000074034.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074034

0 1
 S   -4.340100       1.759800      -1.047500    
 S   -1.384300       2.346000     -0.9322000    
 O   -1.157600      -1.595100      -1.043000    
 O   -4.096900      -1.404100       1.142500    
 N    3.416300      -1.437700      -1.144200    
 N   -2.731900      0.2659000      0.2462000    
 N   -1.593200     -0.2527000      0.7966000    
 C    1.628900      -1.330500      0.1675000    
 C    2.395100     -0.1473000      0.3621000    
 C   0.3600000      -1.677400      0.8391000    
 C    3.511000     -0.2397000     -0.4726000    
 C    2.282400      -2.103900     -0.7640000    
 C  -0.8654000      -1.182000      7.7100001E-02
 C    2.246000      0.9971000       1.170600    
 C    4.489100      0.7590000     -0.5393000    
 C    3.216400       2.004100       1.114300    
 C   -3.930300     -0.3850000      0.4801000    
 C   -5.064300      0.3323000     -0.2022000    
 C    4.319900       1.884800      0.2717000    
 C   -2.701300       1.406300     -0.5228000    
 H   0.2598000      -2.766500      0.9298000    
 H   0.3561000      -1.291800       1.865400    
 H    2.043500      -3.067800      -1.191700    
 H    4.087400      -1.775700      -1.820100    
 H    1.391400       1.106800       1.832100    
 H    5.348400      0.6671000      -1.195000    
 H   -1.337200      8.1900001E-02   1.719600    
 H   -5.537900     -0.3342000     -0.9270000    
 H   -5.790900      0.6647000      0.5432000    
 H    3.106200       2.889200       1.735200    
 H    5.061400       2.679200      0.2437000    


%chk=000074034-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000074034

0 1
S -4.382378 2.254881 -0.212508
S -1.720117 2.705711 1.303143
O -1.011521 -0.958238 -1.052640
O -4.007214 -1.701793 0.079376
N 3.681585 -1.755138 -0.781440
N -2.833764 0.279105 0.618161
N -1.722293 -0.408009 1.096081
C 1.677557 -1.460230 0.270420
C 2.369331 -0.182192 0.232933
C 0.331373 -1.741075 0.884447
C 3.628261 -0.399517 -0.431165
C 2.504977 -2.387525 -0.358921
C -0.823949 -1.006519 0.184932
C 2.045148 1.125568 0.683586
C 4.563190 0.637832 -0.641370
C 2.973222 2.164044 0.476032
C -3.911047 -0.460657 0.032943
C -4.897838 0.482449 -0.640217
C 4.219122 1.923238 -0.175998
C -2.863498 1.690190 0.615876
H 0.103839 -2.821508 0.810017
H 0.333983 -1.492466 1.965571
H 2.336159 -3.446808 -0.544860
H 4.449194 -2.207872 -1.271848
H 1.082760 1.336865 1.164593
H 5.517779 0.459368 -1.149061
H -1.535962 -0.347747 2.099251
H -4.853389 0.346376 -1.732640
H -5.918948 0.291236 -0.278736
H 2.734511 3.178946 0.812515
H 4.917929 2.754283 -0.323275


