%chk=000032889.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032889

0 1
 S   -3.127800     -0.1151000       1.210900    
 N  -0.4791000     -5.0500002E-02  0.9473000    
 N   -1.801100     -9.7199999E-02  -1.031600    
 C   0.8318000     -5.5999998E-03  0.4184000    
 C    1.519300      -1.190800      0.1575000    
 C    1.437300       1.223700      0.1581000    
 C   -1.652800     -9.2000000E-02  0.2552000    
 C   -4.079700      0.3451000     -0.2451000    
 C   -3.231900     -0.2084000      -1.375500    
 C    2.812200      -1.146800     -0.3639000    
 C    2.730300       1.267600     -0.3634000    
 C   0.8970000      -2.522500      0.4272000    
 C   0.7266000       2.509900      0.4291000    
 C    3.417800      8.2400002E-02 -0.6244000    
 H  -0.5132000     -3.8100000E-02   1.962300    
 H   -4.142100       1.436400     -0.3004000    
 H   -5.088400     -7.4800000E-02 -0.2340000    
 H   -3.470500      -1.261400      -1.571200    
 H   -3.431300      0.3449000      -2.299400    
 H    3.362100      -2.060400     -0.5738000    
 H    3.217000       2.216500     -0.5728000    
 H   0.5668000      -2.590600       1.469100    
 H   4.0800001E-02  -2.685000     -0.2356000    
 H    1.603000      -3.343200      0.2600000    
 H  -0.1413000       2.612900     -0.2303000    
 H   0.3963000       2.556100       1.472300    
 H    1.374100       3.377000      0.2586000    
 H    4.424400      0.1167000      -1.030700    


%chk=000032889-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000032889

0 1
S -3.226320 0.210431 1.315718
N -0.475335 0.360742 0.895168
N -1.811070 -0.441679 -0.945225
C 0.851398 0.217290 0.355550
C 1.342585 -1.056234 -0.054840
C 1.673388 1.383837 0.308609
C -1.655159 0.012143 0.263120
C -4.189428 -0.040341 -0.296371
C -3.212196 -0.815091 -1.238839
C 2.668837 -1.127903 -0.549637
C 2.996972 1.261335 -0.173522
C 0.500588 -2.309410 0.048886
C 1.135198 2.732866 0.754300
C 3.493648 0.014481 -0.612189
H -0.576413 0.978098 1.703159
H -4.449810 0.952530 -0.696045
H -5.101735 -0.614869 -0.075063
H -3.335163 -1.908316 -1.096302
H -3.442541 -0.583867 -2.294089
H 3.057554 -2.101018 -0.872155
H 3.633756 2.152715 -0.217106
H -0.049608 -2.345538 1.007467
H -0.261103 -2.327637 -0.752875
H 1.127456 -3.213602 -0.031586
H 0.178944 2.972158 0.252741
H 0.951285 2.774610 1.847746
H 1.853995 3.535557 0.519756
H 4.517875 -0.066486 -0.992476


