%chk=000151668.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000151668

0 1
 S   -1.540000       3.627200     -0.1571000    
 O   -2.885300     -0.6060000       1.634600    
 N   -1.403500      -1.371400      0.1895000    
 N    2.677800      0.9400000      0.1790000    
 N   0.6530000     -0.2434000      0.1875000    
 N   -1.412300      0.9680000      3.0099999E-02
 N   0.6756000       2.150500      2.4499999E-02
 N   -2.661500      -1.424300      0.7367000    
 C  -0.7204000      -2.560500     -0.3719000    
 C    3.467100     -0.2675000      0.2912000    
 C  -0.8327000      -2.533500      -1.890500    
 C   -1.341200      -3.824900      0.2081000    
 C  -0.6858000     -0.1566000      0.1331000    
 C    4.845900      8.2800001E-02  0.8349000    
 C    3.562600     -0.9412000      -1.071500    
 C    1.294800      0.9493000      0.1291000    
 C  -0.6648000       2.082300     -1.9200001E-02
 C   -3.029200       3.129300      -1.068100    
 H   0.3392000      -2.579600     -8.8799998E-02
 H    3.003500     -0.9599000       1.005200    
 H  -0.3595000      -3.418000      -2.330000    
 H   -1.879300      -2.514400      -2.214600    
 H  -0.3408000      -1.650500      -2.312300    
 H   -2.387500      -3.953100     -9.1899998E-02
 H   -1.293600      -3.828600       1.302900    
 H  -0.7969000      -4.708400     -0.1445000    
 H    3.146100       1.834100      8.4399998E-02
 H    5.460000     -0.8162000      0.9510000    
 H    5.376100      0.7723000      0.1682000    
 H    4.766600      0.5671000       1.814600    
 H    2.578700      -1.239300      -1.448000    
 H    4.181300      -1.843300      -1.014800    
 H    4.009500     -0.2719000      -1.815500    
 H   -2.757700       2.639900      -2.007500    
 H   -3.621200       4.019300      -1.297400    
 H   -3.641800       2.453000     -0.4657000    


%chk=000151668-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000151668

0 1
S -1.430193 3.804577 0.024634
O -3.337495 -0.435391 -1.414857
N -1.437410 -1.309119 -0.413660
N 2.687892 0.936054 0.118418
N 0.655928 -0.227815 -0.191050
N -1.399839 1.064234 -0.163103
N 0.729461 2.205843 0.056788
N -2.731822 -1.471717 -1.013508
C -0.789413 -2.639785 -0.135667
C 3.525743 -0.282272 0.032972
C -0.334648 -3.301476 -1.454846
C -1.732576 -3.538103 0.689797
C -0.704191 -0.101604 -0.252237
C 4.848848 -0.024599 0.781086
C 3.757768 -0.700057 -1.438711
C 1.329856 0.961802 -0.008439
C -0.623656 2.183282 -0.035659
C -3.236245 3.327682 -0.247296
H 0.104128 -2.392724 0.460249
H 2.964453 -1.089949 0.537913
H 0.179863 -4.255567 -1.240729
H -1.205343 -3.510784 -2.100838
H 0.365373 -2.644027 -1.999365
H -2.628808 -3.812664 0.110283
H -2.057136 -3.028718 1.614349
H -1.197954 -4.462797 0.972816
H 3.135089 1.850392 0.220310
H 5.480704 -0.929089 0.757534
H 5.421289 0.794287 0.303719
H 4.666976 0.243416 1.837050
H 2.792266 -0.870785 -1.944756
H 4.344213 -1.636119 -1.483741
H 4.311989 0.083295 -1.987701
H -3.604230 3.888390 -1.118662
H -3.806428 3.582483 0.657432
H -3.261656 2.242023 -0.435228


