%chk=000131459.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131459

0 1
 S    1.619700     -0.2352000      0.7078000    
 S  -0.1342000      -3.691100     -0.6174000    
 N   -2.980900       1.532200     -0.7259000    
 N   -1.403500      -2.609300     -0.4332000    
 N    1.155000      -2.726100     -0.1457000    
 C   -2.885900       2.219000      0.5674000    
 C   -1.839000      0.6137000     -0.9083000    
 C   -2.972900       1.205000       1.714400    
 C   -1.611100     -0.3061000      0.2758000    
 C   -2.154900     -2.9600000E-02   1.474600    
 C  -0.8254000      -1.481900     -9.9999997E-05
 C   -3.047600       2.494500      -1.824600    
 C   0.5948000      -1.553100      0.1575000    
 C    4.279600      0.4475000      0.1764000    
 C    3.192600     -0.5789000     -0.1415000    
 C    3.928500       1.871500     -0.2630000    
 C    5.085000       2.828000     -1.4000000E-02
 H   -3.706500       2.937700      0.6829000    
 H   -1.947600       2.785800      0.6392000    
 H  -0.9151000       1.178900      -1.093000    
 H   -2.037300      7.7999998E-03  -1.802200    
 H   -4.016200      0.9007000       1.862800    
 H   -2.640100       1.685400       2.641600    
 H   -2.015800     -0.7072000       2.312700    
 H   -3.929000       3.136600      -1.719500    
 H   -3.149400       1.975800      -2.784300    
 H   -2.158700       3.134200      -1.870200    
 H    4.498700      0.4358000       1.251600    
 H    5.201300      0.1349000     -0.3306000    
 H    3.013100     -0.6053000      -1.222000    
 H    3.553100      -1.567000      0.1638000    
 H    3.680000       1.879900      -1.330700    
 H    3.052600       2.243100      0.2787000    
 H    4.816100       3.839400     -0.3346000    
 H    5.975600       2.521100     -0.5718000    
 H    5.340800       2.865200       1.049700    


%chk=000131459-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131459

0 1
S 1.833654 0.151122 0.345936
S 0.064463 -3.029384 -1.937810
N -3.836598 1.234998 -0.363522
N -1.217100 -1.862131 -1.512079
N 1.363603 -2.128543 -1.072301
C -3.211994 2.481699 0.126505
C -2.871063 0.353710 -1.050573
C -2.171330 2.141382 1.210180
C -1.560129 0.205031 -0.288944
C -1.266219 1.012902 0.774103
C -0.671643 -0.877674 -0.757204
C -5.041291 1.462266 -1.179999
C 0.788031 -1.042022 -0.532138
C 4.614157 0.176635 0.809662
C 3.540171 -0.676136 0.117274
C 4.833714 1.572752 0.180503
C 5.970825 2.355028 0.871390
H -4.002581 3.129144 0.547881
H -2.716703 3.055080 -0.700740
H -2.633421 0.717657 -2.087212
H -3.322443 -0.646920 -1.177977
H -2.692632 1.851900 2.145321
H -1.562399 3.036101 1.451515
H -0.356765 0.850854 1.364963
H -5.779332 2.045748 -0.601143
H -5.501297 0.492013 -1.440853
H -4.834997 2.010874 -2.134754
H 4.376953 0.282963 1.887375
H 5.564410 -0.394221 0.757916
H 3.706282 -0.769462 -0.968377
H 3.456870 -1.686042 0.548699
H 5.063074 1.451454 -0.897400
H 3.893915 2.156508 0.233360
H 6.116323 3.347085 0.406751
H 6.929638 1.806745 0.804321
H 5.749252 2.513784 1.943671


