%chk=000170504.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170504

1 1
 S    1.608800      -2.122100     -0.4763000    
 S    3.694400      6.6900000E-02 -0.6251000    
 N   0.9895000      0.2945000     -0.2493000    
 C  -0.2126000     -0.3733000     -0.1285000    
 C   -1.495900      0.1984000      7.6399997E-02
 C  -6.0300000E-02  -1.751300     -0.2307000    
 C    1.188000       1.726400     -0.1893000    
 C   -2.609900     -0.6730000      0.1731000    
 C    2.041400     -0.4717000     -0.4360000    
 C   -1.156800      -2.617000     -0.1356000    
 C   -2.424000      -2.058500      6.6299997E-02
 C   -1.681500       1.592200      0.1833000    
 C    1.076200       2.357500      -1.564000    
 C   -3.884200     -0.1200000      0.3750000    
 C   -2.958400       2.114900      0.3836000    
 C   -4.055500       1.262100      0.4791000    
 C    4.246900      6.4599998E-02   1.100600    
 C    5.693800      0.5094000       1.197400    
 H   0.6538000       2.189200      0.6387000    
 H    2.198700       1.964300      0.1610000    
 H   -1.036100      -3.692800     -0.2156000    
 H   -3.276500      -2.732200      0.1398000    
 H  -0.9710000       2.373800      2.2900000E-02
 H    1.840300       1.973300      -2.247000    
 H    1.206800       3.442000      -1.493300    
 H   0.1047000       2.160900      -2.026900    
 H   -4.759500     -0.7620000      0.4519000    
 H   -3.104800       3.190000      0.4415000    
 H   -5.049600       1.673500      0.6294000    
 H    3.614900      0.7345000       1.692300    
 H    4.146200     -0.9452000       1.511800    
 H    6.358600     -0.1598000      0.6409000    
 H    5.827200       1.528200      0.8181000    
 H    6.017100      0.5012000       2.243600    


%chk=000170504-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170504

1 1
S 1.779314 -1.663526 0.611571
S 3.657789 0.834832 0.304602
N 0.892217 0.777606 0.201258
C -0.306805 -0.014502 0.231782
C -1.687546 0.394992 0.052142
C -0.006034 -1.370705 0.490028
C 0.946070 2.272649 0.061316
C -2.690021 -0.646046 0.247250
C 2.051620 0.075696 0.354767
C -0.983394 -2.383537 0.651376
C -2.315868 -1.999857 0.547029
C -2.154390 1.698762 -0.324302
C 1.039862 2.728456 -1.406752
C -4.079670 -0.325749 0.115860
C -3.520228 1.972607 -0.451972
C -4.497085 0.962354 -0.218110
C 4.803695 -0.635209 0.784754
C 6.241723 -0.109128 0.812613
H 0.066937 2.679006 0.581443
H 1.829972 2.615438 0.627778
H -0.700406 -3.418672 0.857987
H -3.107807 -2.743898 0.680329
H -1.462939 2.508302 -0.551823
H 1.968061 2.366125 -1.879887
H 1.053580 3.831684 -1.442159
H 0.186180 2.375416 -2.008774
H -4.815046 -1.121807 0.274862
H -3.840048 2.977449 -0.745451
H -5.561371 1.194845 -0.316283
H 4.467331 -0.991797 1.772037
H 4.660568 -1.413777 0.017310
H 6.563342 0.271027 -0.171677
H 6.378527 0.684476 1.566294
H 6.912570 -0.944612 1.081902


