%chk=000166779.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000166779

0 1
 S  -0.5563000       2.814100     -0.4360000    
 N  -0.7905000      0.3045000      0.1378000    
 N    1.424700       1.170000      0.1357000    
 C   -3.220200     -3.7000000E-02 -4.4999998E-03
 C   -2.057200      0.8006000     -9.6000001E-02
 C   -4.445700      0.5102000      0.3754000    
 C   -3.124100      -1.398100     -0.2947000    
 C   -2.132400       2.137800     -0.4211000    
 C    3.354900     -0.2919000     -4.3299999E-02
 C   8.0200002E-02   1.277600     -1.3400000E-02
 C   -5.575000     -0.3036000      0.4647000    
 C   -4.253500      -2.211700     -0.2055000    
 C   -5.479000      -1.664500      0.1742000    
 C    3.813200      -1.559700     -0.3622000    
 C    4.221900      0.7052000      0.3728000    
 C    1.915000      2.4000001E-03 -0.1492000    
 C    5.176300      -1.838000     -0.2623000    
 C    5.585100      0.4269000      0.4726000    
 C    6.062400     -0.8447000      0.1550000    
 H   -4.557100       1.561700      0.6270000    
 H   -2.180900      -1.846900     -0.5974000    
 H   -2.990700       2.750800     -0.6588000    
 H   -6.528700      0.1211000      0.7644000    
 H   -4.179200      -3.271300     -0.4326000    
 H   -6.358300      -2.298200      0.2444000    
 H    3.133400      -2.341600     -0.6885000    
 H    3.876800       1.703300      0.6260000    
 H    1.282000     -0.8358000     -0.4989000    
 H    5.548100      -2.828100     -0.5094000    
 H    6.275100       1.200100      0.7975000    
 H    7.123700      -1.061400      0.2328000    


%chk=000166779-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000166779

0 1
S -0.527040 2.965351 0.254025
N -0.886381 0.325746 0.040188
N 1.463420 1.056359 0.090534
C -3.358888 0.019353 0.023133
C -2.166394 0.894349 0.091966
C -4.678229 0.544183 0.096151
C -3.190973 -1.384998 -0.120044
C -2.172051 2.289616 0.206730
C 3.440644 -0.356617 -0.011303
C 0.091639 1.226299 0.110726
C -5.796681 -0.311131 0.026748
C -4.311184 -2.239204 -0.189474
C -5.620000 -1.707911 -0.116767
C 3.956117 -1.682027 -0.087786
C 4.348628 0.741725 0.034396
C 1.991532 -0.152322 0.018150
C 5.347768 -1.907270 -0.118040
C 5.736302 0.513021 0.003904
C 6.241092 -0.810779 -0.072395
H -4.838897 1.622270 0.208888
H -2.173478 -1.783400 -0.174790
H -3.029111 2.956489 0.263331
H -6.806542 0.110145 0.084909
H -4.163985 -3.319414 -0.300149
H -6.490385 -2.371149 -0.170492
H 3.259937 -2.529423 -0.123147
H 3.934718 1.753302 0.093054
H 1.351842 -1.054456 -0.022322
H 5.736670 -2.929526 -0.176805
H 6.431096 1.359337 0.039076
H 7.322810 -0.984117 -0.095894


