%chk=000159491.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159491

0 1
 S  -0.5043000       1.942600      0.6677000    
 O   -2.448000      -2.485000     -8.7700002E-02
 N  -0.3926000     -0.6565000      0.4609000    
 N   -1.692600     -0.2906000      0.2466000    
 N   -3.122700       1.659800      0.1465000    
 N   -5.081000      -1.269900     -0.4813000    
 N   -5.417200       1.025600     -0.3443000    
 N   -5.917400     -0.2116000     -0.5474000    
 C    4.079800      0.4476000     -3.4000002E-02
 C    4.470800     -0.8869000      0.6154000    
 C    4.885300      0.6870000      -1.318100    
 C    5.974900     -0.9731000      0.8649000    
 C    6.388600      0.5981000      -1.065500    
 C    6.772200     -0.7258000     -0.4119000    
 C    2.580300      0.4883000     -0.3223000    
 C    1.783600      0.3770000      0.9642000    
 C   0.3184000      0.4013000      0.6877000    
 C   -1.973200       1.077800      0.3133000    
 C   -2.641000      -1.278000     -1.9200001E-02
 C   -3.926700     -0.6572000     -0.2085000    
 C   -4.137300      0.7293000     -0.1272000    
 H    4.322100       1.256800      0.6691000    
 H    4.159900      -1.722900     -2.4000000E-02
 H    3.980600      -1.020600       1.584100    
 H    4.647000       1.674400      -1.731200    
 H    4.603400     -5.2200001E-02  -2.078900    
 H    6.225600      -1.960100       1.269700    
 H    6.262300     -0.2343000       1.623300    
 H    6.699500       1.428100     -0.4190000    
 H    6.928500      0.7116000      -2.012400    
 H    7.844000     -0.7279000     -0.1839000    
 H    6.593800      -1.546200      -1.118000    
 H    2.299800     -0.3196000      -1.010500    
 H    2.328800       1.426900     -0.8322000    
 H    2.045900       1.185400       1.656200    
 H    1.974700     -0.5694000       1.479000    
 H   -6.902700     -0.3441000     -0.7461000    


%chk=000159491-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000159491

0 1
S -0.433756 1.887623 -0.090200
O -2.782322 -2.414905 0.927928
N -0.578023 -0.664321 0.760088
N -1.875024 -0.280804 0.374457
N -3.168584 1.595466 -0.521553
N -5.457886 -1.179859 -0.015318
N -5.548974 1.044008 -0.796190
N -6.192439 -0.139877 -0.515073
C 4.167994 0.380973 0.017424
C 4.622262 -1.028442 0.482845
C 5.010826 0.837334 -1.203113
C 6.141883 -1.082320 0.773410
C 6.529756 0.789093 -0.913272
C 6.968457 -0.619554 -0.449018
C 2.657414 0.439404 -0.322818
C 1.739130 0.216132 0.911152
C 0.279544 0.320124 0.591558
C -2.045493 1.046372 -0.113639
C -2.967061 -1.259881 0.496873
C -4.200569 -0.623606 0.038652
C -4.253419 0.736852 -0.438785
H 4.364265 1.095701 0.848925
H 4.375170 -1.761617 -0.314429
H 4.063831 -1.340110 1.387139
H 4.713059 1.862373 -1.502305
H 4.782401 0.174198 -2.064537
H 6.432398 -2.109351 1.067694
H 6.371817 -0.425405 1.638174
H 6.774894 1.526816 -0.121048
H 7.096285 1.089835 -1.815783
H 8.048462 -0.624350 -0.205463
H 6.822970 -1.339426 -1.281061
H 2.419442 -0.321158 -1.093005
H 2.429426 1.428174 -0.771460
H 1.999683 0.956124 1.694339
H 1.899056 -0.788781 1.338920
H -7.193775 -0.237137 -0.676505


