%chk=000033327.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033327

0 1
 S  -0.3805000      0.1053000      -1.868400    
 O    1.112900       2.296800      0.6308000    
 N    2.019200      0.2974000     -0.2162000    
 N   -5.212600       1.547100     -0.3677000    
 C  -0.3461000      0.5674000     -9.2000000E-02
 C  -0.7331000      -1.683500      -1.583400    
 C  -0.5432000     -0.7096000      0.6832000    
 C  -0.7430000      -1.870400     -8.2999997E-02
 C   -1.450600       1.588500      0.1783000    
 C   -2.815300       1.051400     -0.2445000    
 C    1.005300       1.170200      0.1577000    
 C   -2.098700      -2.005600      -2.198100    
 C   0.3783000      -2.499000      -2.251700    
 C  -0.5374000     -0.7845000       2.078700    
 C  -0.9396000      -3.098900      0.5539000    
 C   -3.917900       2.064200      5.9599999E-02
 C  -0.7323000      -2.014200       2.707300    
 C  -0.9333000      -3.167500       1.947400    
 C    3.415400      0.5123000     -0.1309000    
 C   -5.513100      0.2852000      0.3108000    
 C   -6.269600       2.526500     -0.1095000    
 C    4.281400     -0.4814000     -0.5565000    
 C    3.886300       1.712300      0.3753000    
 C    5.657400     -0.2690000     -0.4734000    
 C    5.262400       1.924900      0.4583000    
 C    6.147900      0.9342000      3.4000002E-02
 H   -1.478400       1.854600       1.243700    
 H   -1.253500       2.526800     -0.3593000    
 H   -2.861600      0.8444000      -1.317400    
 H   -2.998000      0.1199000      0.2965000    
 H   -2.125300      -1.773900      -3.269500    
 H   -2.329400      -3.073300      -2.098300    
 H   -2.917700      -1.465700      -1.711600    
 H   0.1931000      -3.574800      -2.145800    
 H   0.4387000      -2.292900      -3.327000    
 H    1.364000      -2.308400      -1.813800    
 H  -0.3806000      0.1054000       2.681500    
 H   -1.098800      -4.004700     -2.3900000E-02
 H   -3.919900       2.303900       1.131300    
 H   -3.698700       2.994200     -0.4802000    
 H  -0.7279000      -2.074600       3.791800    
 H   -1.085700      -4.122100       2.442900    
 H    1.752200     -0.6020000     -0.6037000    
 H   -5.377800      0.3482000       1.396700    
 H   -6.553900     -8.3999997E-03  0.1251000    
 H   -4.918000     -0.5440000     -8.3999999E-02
 H   -7.232400       2.163500     -0.4859000    
 H   -6.376700       2.747200      0.9589000    
 H   -6.062300       3.464500     -0.6368000    
 H    3.909600      -1.421900     -0.9534000    
 H    3.265800       2.524800      0.7232000    
 H    6.347000      -1.040200     -0.8038000    
 H    5.645700       2.861300      0.8533000    
 H    7.219300       1.099600      9.8700002E-02


%chk=000033327-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000033327

0 1
S -0.296950 -0.296958 -1.968889
O 1.119396 1.499892 1.432601
N 2.145352 0.545460 -0.454015
N -5.238750 1.761930 -0.278782
C -0.323068 0.281046 -0.129808
C -0.724512 -2.148451 -1.583393
C -0.625851 -0.995769 0.665409
C -0.830525 -2.193654 -0.059226
C -1.395279 1.392907 0.061873
C -2.847304 0.945164 -0.192261
C 1.061782 0.845620 0.344413
C -2.066108 -2.485997 -2.275301
C 0.420221 -3.041657 -2.116729
C -0.709697 -0.994679 2.079283
C -1.127297 -3.391066 0.636139
C -3.838402 2.095638 0.080490
C -1.004530 -2.191166 2.766530
C -1.216213 -3.390537 2.044883
C 3.518027 0.858972 -0.252023
C -5.825179 0.710522 0.577086
C -6.094440 2.965856 -0.317292
C 4.433285 0.432163 -1.252890
C 3.995907 1.564094 0.885408
C 5.809316 0.704247 -1.120144
C 5.377841 1.828334 1.002590
C 6.291706 1.405129 0.010386
H -1.282146 1.768863 1.097083
H -1.139210 2.238792 -0.606880
H -2.968997 0.620426 -1.242581
H -3.078104 0.077022 0.453376
H -1.981842 -2.370065 -3.370532
H -2.348190 -3.535162 -2.062779
H -2.874420 -1.828223 -1.915757
H 0.182721 -4.108385 -1.940224
H 0.554047 -2.900391 -3.204116
H 1.373190 -2.813585 -1.609732
H -0.521238 -0.065383 2.627122
H -1.287972 -4.322990 0.081514
H -3.754016 2.410682 1.156089
H -3.541139 2.970414 -0.531201
H -1.064027 -2.191609 3.860373
H -1.444778 -4.319635 2.578649
H 1.895732 0.037366 -1.317762
H -5.868625 0.999525 1.659718
H -6.854887 0.494923 0.239691
H -5.242775 -0.222406 0.496218
H -7.105499 2.693245 -0.670363
H -6.202742 3.469547 0.678327
H -5.671944 3.700382 -1.026156
H 4.063664 -0.110545 -2.132307
H 3.287325 1.891600 1.648096
H 6.503838 0.369892 -1.898783
H 5.741181 2.372683 1.881626
H 7.361126 1.617475 0.114150


