%chk=000081235.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081235

0 1
 S    4.658200       2.094100      0.1706000    
 S    1.516600      0.6780000      0.1324000    
 O    3.300100       2.831800     -0.3502000    
 O    4.787700       2.374300       1.588200    
 O    5.730800       2.394900     -0.7579000    
 O   -5.500700       1.399500     -0.3339000    
 N    1.439400      -1.886500     -0.1309000    
 N   -4.931200     -0.8192000      0.2033000    
 N   -8.952800       1.788800     -0.2438000    
 C    4.324400      0.3725000      2.0000001E-03
 C    3.021700     -0.1515000     -6.6000000E-03
 C    2.777900      -1.521800     -0.1401000    
 C    5.395900     -0.5147000     -0.1276000    
 C   0.6928000     -0.8157000      6.3999998E-03
 C    3.878600      -2.396300     -0.2694000    
 C    5.178200      -1.881500     -0.2617000    
 C  -0.7499000     -0.8166000      5.7799999E-02
 C    6.810300     -2.7200000E-02 -0.1257000    
 C   -1.434700      -1.988700      0.3759000    
 C   -1.456800      0.3546000     -0.2121000    
 C   -3.536800     -0.8182000      0.1545000    
 C   -2.828900      -1.989500      0.4242000    
 C   -2.850700      0.3537000     -0.1637000    
 C   -5.810500      0.2506000     -3.5000000E-02
 C   -7.257500     -0.1844000      0.1249000    
 C   -8.202200      0.9189000     -8.1500001E-02
 H    3.719600      -3.465800     -0.3753000    
 H    6.011600      -2.572200     -0.3650000    
 H    7.504700     -0.8571000      5.6299999E-02
 H    7.082200      0.3948000      -1.097800    
 H    7.003400      0.6858000      0.6815000    
 H  -0.9051000      -2.913100      0.5930000    
 H  -0.9850000       1.291600     -0.4922000    
 H   -3.350600      -2.909800      0.6742000    
 H   -3.328500       1.296500     -0.3906000    
 H   -5.355200      -1.713300      0.4421000    
 H    2.535000       2.801100      0.2708000    
 H   -7.457700     -0.9853000     -0.5956000    
 H   -7.385600     -0.5984000       1.131500    


%chk=000081235-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000081235

0 1
S 5.120249 2.009625 -0.466295
S 1.589630 0.972460 -0.291072
O 3.516163 2.786291 -0.980902
O 5.615805 2.743829 0.890156
O 6.116300 1.996230 -1.736403
O -5.758332 1.641196 -0.436878
N 1.312872 -1.644304 0.316379
N -5.138359 -0.572196 0.074412
N -7.991503 -2.513796 0.532536
C 4.443811 0.266014 -0.111883
C 3.070553 -0.037471 -0.053718
C 2.688298 -1.395092 0.259223
C 5.458791 -0.696770 0.134017
C 0.591311 -0.562163 0.070717
C 3.676920 -2.375527 0.494470
C 5.032951 -2.022945 0.432472
C -0.871521 -0.517311 0.060687
C 6.943137 -0.379598 0.095289
C -1.602253 -1.708455 0.339235
C -1.595863 0.672904 -0.217168
C -3.716998 -0.500813 0.057771
C -3.003145 -1.699757 0.337739
C -3.001907 0.694523 -0.221831
C -6.049211 0.444823 -0.160413
C -7.550104 0.040589 -0.068257
C -7.822182 -1.362998 0.261825
H 3.359309 -3.395033 0.728613
H 5.800758 -2.779563 0.622462
H 7.521818 -1.234701 0.479084
H 7.280869 -0.160905 -0.933264
H 7.192740 0.503787 0.711818
H -1.047071 -2.626156 0.553244
H -1.060012 1.604076 -0.435861
H -3.551498 -2.625257 0.553938
H -3.549242 1.613416 -0.436579
H -5.528905 -1.496296 0.288557
H 3.621209 3.772855 -0.855986
H -8.015199 0.702938 0.684784
H -8.011487 0.296252 -1.039918


