%chk=000001612.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001612

0 1
 S   8.0300003E-02 -0.9903000      4.8200000E-02
 S   -2.873300      -1.342700     -0.1172000    
 S   -5.657300     -0.4466000     -8.1600003E-02
 O  -0.6022000       2.775900     -0.8234000    
 O   0.2037000      -1.664100       1.325300    
 O   0.2185000      -1.689700      -1.212500    
 O   -5.747900      -1.841800      0.3336000    
 O   -6.358000      0.5945000      0.6597000    
 O    6.548400     -0.4942000      0.1591000    
 N    1.041100      0.4577000      3.9200000E-02
 N   -6.140200     -0.3578000      -1.727600    
 C  -0.8371000       2.086900      0.4065000    
 C   0.5230000       1.564500      0.9256000    
 C   -1.873600       1.009700      0.2350000    
 C   -1.543400     -0.3154000      5.8600001E-02
 C   -3.291900       1.176200      0.2146000    
 C    2.465900      0.2113000      6.9899999E-02
 C   -3.956000     -1.9800000E-02  2.9300001E-02
 C    3.078600     -0.1485000       1.266100    
 C    3.213800      0.3358000      -1.096900    
 C    4.452700     -0.3862000       1.296000    
 C    4.588000      9.8099999E-02  -1.067200    
 C    5.207500     -0.2630000      0.1293000    
 C    7.259600     -0.3506000      -1.069500    
 H   -1.212700       2.831600       1.117700    
 H    1.248800       2.387300      0.9200000    
 H   0.4309000       1.194300       1.953700    
 H   -3.799100       2.126100      0.3277000    
 H  -0.1930000       2.146100      -1.441700    
 H    2.507500     -0.2471000       2.185000    
 H    2.737300      0.6167000      -2.032400    
 H    4.929900     -0.6665000       2.231000    
 H    5.113500      0.2118000      -2.009200    
 H   -6.166400      0.5795000      -2.149300    
 H   -5.743900      -1.063100      -2.362000    
 H    8.311600     -0.5719000     -0.8618000    
 H    7.216800      0.6789000      -1.441100    
 H    6.921800      -1.076200      -1.817200    


%chk=000001612-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001612

0 1
S 0.162590 -1.300217 0.211459
S -2.945179 -1.566094 -0.503261
S -5.789428 -0.128442 -0.515696
O -0.793370 2.827595 -0.051293
O 0.330051 -2.040259 1.668722
O 0.481008 -2.142352 -1.151007
O -6.435883 -1.515922 0.022220
O -6.317040 1.333110 -0.027784
O 6.686914 -0.114476 -0.086012
N 1.117957 0.676928 0.157208
N -5.838007 -0.276901 -2.341249
C -0.914281 1.778348 0.977216
C 0.492080 1.280239 1.373443
C -1.874286 0.701177 0.484801
C -1.557325 -0.594874 0.101211
C -3.281777 0.968607 0.295483
C 2.510801 0.479856 0.148966
C -3.962321 -0.120802 -0.205882
C 3.363655 0.591980 1.296395
C 3.093496 0.119046 -1.105051
C 4.743094 0.403412 1.174903
C 4.474121 -0.094927 -1.228757
C 5.307363 0.056025 -0.085443
C 7.341102 -0.507174 -1.343405
H -1.369551 2.295788 1.839604
H 1.084051 2.166035 1.669350
H 0.455541 0.584165 2.239468
H -3.758248 1.926772 0.516842
H -0.230446 2.439949 -0.776667
H 2.941164 0.825928 2.278544
H 2.432503 0.009298 -1.970093
H 5.412410 0.498593 2.034801
H 4.890959 -0.373946 -2.200264
H -5.884470 0.660281 -2.773132
H -6.631421 -0.890589 -2.589642
H 8.407648 -0.591914 -1.092530
H 7.198138 0.264968 -2.122457
H 6.959587 -1.481809 -1.700509


