%chk=000093235.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093235

1 1
 S   -4.567400       1.225000     -3.5999999E-03
 N    2.532200      0.7290000     -3.5000001E-03
 N  -0.8854000     -7.3399998E-02  1.9200001E-02
 N   -1.926400      0.8502000      9.4999997E-03
 N   -3.400800      -1.099000      1.6500000E-02
 C    1.583500     -0.1618000      5.7999999E-03
 C    1.942400       2.020100     -6.8000001E-03
 C   0.5504000       1.938500      1.1800000E-02
 C   0.2505000      0.5257000      1.9600000E-02
 C    1.734300      -1.615700     -1.5000000E-03
 C    2.575000       3.250500     -2.5300000E-02
 C    3.993300      0.5821000      2.7700000E-02
 C  -0.2671000       3.048400      1.3900000E-02
 C    1.767700       4.394600     -2.2900000E-02
 C   0.3623000       4.294300     -3.1000001E-03
 C    1.797100      -2.312500      -1.212900    
 C    1.816500      -2.322200       1.202900    
 C    1.940600      -3.699900      -1.219600    
 C    1.960100      -3.709600       1.196200    
 C    2.022100      -4.398400     -1.5200000E-02
 C   -3.066200      0.2490000      9.2000002E-03
 C   -4.766300      -1.325500     -1.4300000E-02
 C   -2.412000      -2.159600      2.0700000E-02
 C   -5.536600     -0.2298000     -2.4499999E-02
 H    3.654400       3.351600     -4.0700000E-02
 H    4.254300     -0.4790000      5.0000001E-02
 H    4.379500       1.067100      0.9285000    
 H    4.413400       1.037800     -0.8734000    
 H   -1.346700       3.033500      2.9500000E-02
 H    2.231400       5.377800     -3.6400001E-02
 H  -0.2366000       5.201400     -1.5000000E-03
 H    1.733700      -1.779500      -2.158200    
 H    1.768500      -1.796800       2.153500    
 H    1.988400      -4.236300      -2.162700    
 H    2.023200      -4.253700       2.134100    
 H    2.133600      -5.478800     -2.0400001E-02
 H   -5.118900      -2.346900     -2.4100000E-02
 H   -1.791700      -2.128700      0.9226000    
 H   -1.794500      -2.138300     -0.8835000    
 H   -2.899800      -3.142300      2.7799999E-02
 H   -6.616600     -0.2175000     -4.5400001E-02


%chk=000093235-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000093235

1 1
S -4.619734 1.064630 0.774136
N 2.560205 0.800226 -0.139262
N -0.871190 -0.076712 0.228875
N -1.975657 0.710641 0.359747
N -3.554520 -1.220072 0.017819
C 1.554533 -0.122310 0.016373
C 2.017978 2.125813 -0.135013
C 0.605356 2.036078 0.045807
C 0.295190 0.605743 0.135339
C 1.753348 -1.577408 0.044820
C 2.694405 3.348484 -0.270084
C 4.010762 0.545975 -0.186369
C -0.166205 3.218542 0.091852
C 1.907174 4.524594 -0.218454
C 0.501359 4.459511 -0.039860
C 2.567210 -2.231513 -0.925866
C 1.108542 -2.358044 1.046942
C 2.733990 -3.630768 -0.889880
C 1.292238 -3.754883 1.086509
C 2.103449 -4.395953 0.119528
C -3.171319 0.072391 0.343457
C -4.941370 -1.450214 0.105339
C -2.622918 -2.297754 -0.409286
C -5.674825 -0.359707 0.492713
H 3.776786 3.408238 -0.417250
H 4.220153 -0.484748 0.131756
H 4.521289 1.242018 0.499654
H 4.401616 0.697929 -1.207595
H -1.247194 3.164995 0.229885
H 2.394205 5.499418 -0.320992
H -0.076369 5.388429 -0.004395
H 3.030634 -1.654080 -1.733601
H 0.494453 -1.860379 1.803272
H 3.350315 -4.123727 -1.648313
H 0.815780 -4.343430 1.877382
H 2.244592 -5.481192 0.153323
H -5.332500 -2.438365 -0.133433
H -2.037901 -2.664826 0.447002
H -1.919025 -1.911488 -1.160141
H -3.219184 -3.117153 -0.839735
H -6.750251 -0.287531 0.627500


