%chk=000027901.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027901

0 1
 S   -3.899000     -0.7162000      0.8466000    
 N    3.928500     -0.8303000     -0.2535000    
 N  -0.1325000     -8.6900003E-02  0.6131000    
 C    1.052200     -0.8435000      0.2742000    
 C    1.636900     -0.3266000      -1.039500    
 C    2.085900     -0.7275000       1.394000    
 C    2.971700      -1.004300      -1.355400    
 C    3.405400      -1.393600      0.9990000    
 C   -1.189900     -0.7535000       1.369900    
 C  -0.2672000       1.255500      0.2418000    
 C    5.214400      -1.440300     -0.5912000    
 C   -2.323800      -1.267400      0.5239000    
 C  -0.8494000       1.596000     -0.9857000    
 C   0.1776000       2.274500       1.093100    
 C   -2.255800      -2.152500     -0.5087000    
 C  -0.9845000       2.934100      -1.355700    
 C   4.2300001E-02   3.612600      0.7233000    
 C  -0.5388000       3.942400     -0.5013000    
 C   -3.544700      -2.395100      -1.065300    
 C   -4.529300      -1.677500     -0.4225000    
 H   0.7992000      -1.903700      0.1429000    
 H    1.837300      0.7516000      -1.011600    
 H   0.9420000     -0.5112000      -1.867900    
 H    1.704100      -1.190000       2.312300    
 H    2.283000      0.3239000       1.637000    
 H    2.803300      -2.069600      -1.561900    
 H    3.375100     -0.5560000      -2.271700    
 H    4.126300      -1.229700       1.809200    
 H    3.257800      -2.478000      0.9089000    
 H   -1.555000     -7.4100003E-02   2.151700    
 H  -0.7710000      -1.609800       1.916200    
 H    5.629700     -0.9857000      -1.497500    
 H    5.130200      -2.520800     -0.7544000    
 H    5.943800      -1.267700      0.2080000    
 H   -1.206200      0.8237000      -1.662600    
 H   0.6243000       2.035400       2.054900    
 H   -1.344000      -2.615100     -0.8629000    
 H   -1.438000       3.190900      -2.308600    
 H   0.3874000       4.397900       1.389500    
 H  -0.6448000       4.984300     -0.7890000    
 H   -3.740000      -3.062200      -1.894900    
 H   -5.588600      -1.671800     -0.6374000    


%chk=000027901-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000027901

0 1
S -3.156459 -2.761179 0.795840
N 3.877850 -1.196313 -0.103984
N -0.195913 0.166608 0.600565
C 1.043422 -0.633077 0.389162
C 1.661533 -0.507278 -1.025233
C 2.123872 -0.434874 1.488516
C 2.867757 -1.461894 -1.155901
C 3.306778 -1.395267 1.248449
C -1.311279 -0.568732 1.215700
C -0.343301 1.535852 0.282414
C 5.114241 -1.975901 -0.309082
C -2.135955 -1.372308 0.222724
C -1.647836 2.107300 0.134847
C 0.776755 2.408821 0.111361
C -2.275613 -1.200466 -1.145937
C -1.815495 3.478019 -0.147306
C 0.593376 3.774108 -0.186687
C -0.700139 4.330059 -0.314699
C -3.175345 -2.144094 -1.769787
C -3.734822 -3.046051 -0.881854
H 0.711207 -1.690121 0.468179
H 1.999092 0.521977 -1.228630
H 0.898261 -0.768076 -1.782286
H 1.681173 -0.627606 2.485231
H 2.501480 0.601780 1.487530
H 2.505996 -2.525396 -1.108363
H 3.346023 -1.323632 -2.143534
H 4.100099 -1.210677 1.996684
H 2.958182 -2.455500 1.389134
H -1.959407 0.145682 1.758981
H -0.905287 -1.253824 1.988035
H 5.542096 -1.741708 -1.300287
H 4.954848 -3.083438 -0.255083
H 5.859654 -1.701388 0.458718
H -2.536811 1.472093 0.205344
H 1.794845 2.035801 0.238450
H -1.745657 -0.414232 -1.689088
H -2.831383 3.876713 -0.253698
H 1.477684 4.411524 -0.305566
H -0.834497 5.392930 -0.540199
H -3.397096 -2.148312 -2.839916
H -4.438032 -3.855723 -1.068445


