%chk=000095002.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095002

0 1
 S  -0.2012000      -2.306900     -0.2201000    
 O   -4.338500      0.6373000     -0.2898000    
 N   -1.654500     -0.1006000      3.5999999E-03
 N    4.028100     -0.7075000      0.1543000    
 C   -2.236700      0.8960000      0.8917000    
 C   -2.322300     -0.2760000      -1.278800    
 C   -3.738600      0.6756000       1.009800    
 C   -3.820000     -0.4478000      -1.067100    
 C  -0.5053000     -0.7498000      0.3088000    
 C   0.4722000      3.1800002E-02   1.159300    
 C    1.823200      0.1708000      0.4993000    
 C    2.087000       1.246700     -0.3218000    
 C    2.798700     -0.7729000      0.7132000    
 C    3.340500       1.348700     -0.9151000    
 C    4.267500      0.3545000     -0.6473000    
 H   -1.811600      0.8485000       1.898100    
 H   -2.026500       1.879000      0.4552000    
 H   -2.141000      0.6515000      -1.836900    
 H   -1.922700      -1.090700      -1.885500    
 H   -4.198000       1.496400       1.569300    
 H   -3.965700     -0.2587000       1.537100    
 H   -4.047800      -1.394400     -0.5629000    
 H   -4.339000     -0.4471000      -2.030700    
 H   0.5811000     -0.4800000       2.125000    
 H   0.1408000       1.046100       1.396200    
 H    1.337500       2.008700     -0.5138000    
 H    2.643200      -1.629400       1.360700    
 H    3.583700       2.179900      -1.567000    
 H    5.259500      0.3875000      -1.085700    


%chk=000095002-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095002

0 1
S -0.683735 -3.063766 0.567047
O -3.894107 0.926220 -0.782141
N -1.479829 -0.546867 -0.149091
N 3.044099 0.124603 -1.254824
C -1.485889 0.938779 -0.159279
C -2.496910 -1.113942 -1.071261
C -2.904527 1.461351 0.160021
C -3.887394 -0.548791 -0.732418
C -0.634194 -1.341561 0.588840
C 0.418376 -0.643243 1.456932
C 1.524902 0.070743 0.678109
C 2.120320 1.257070 1.174707
C 2.031913 -0.451855 -0.541058
C 3.172581 1.864962 0.455044
C 3.598991 1.267649 -0.753149
H -0.761274 1.341356 0.562259
H -1.187157 1.283567 -1.169094
H -2.220375 -0.838347 -2.108024
H -2.473687 -2.212885 -0.970585
H -2.946105 2.557151 0.046001
H -3.181634 1.186383 1.201543
H -4.200392 -0.892476 0.276460
H -4.631283 -0.871347 -1.478191
H 0.867571 -1.436200 2.078377
H -0.062287 0.069866 2.157230
H 1.769358 1.696225 2.116989
H 1.614801 -1.374168 -0.962735
H 3.652110 2.779852 0.817450
H 4.409361 1.706875 -1.346060


