%chk=000178684.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178684

0 1
 S    3.975400     -0.6532000      0.6087000    
 S    2.456200      -3.207600     -0.2661000    
 S    3.684100       2.317300       1.003400    
 S  -0.2906000      -4.338600     -0.7557000    
 N    1.632300      0.4902000      0.3800000    
 N   0.3498000      -1.656800     -0.1776000    
 C    1.470600     -0.8736000      0.1163000    
 C   0.6440000       1.495200      0.1627000    
 C    2.612300      -1.564900      0.1522000    
 C   -1.007000      -1.241900     -3.3500001E-02
 C    2.978100      0.8305000      0.6960000    
 C   0.6854000      -3.015200     -0.4404000    
 C   0.5627000       2.162000      -1.057800    
 C  -0.2449000       1.802700       1.190600    
 C   -1.663600     -0.6232000      -1.097300    
 C   -1.677500      -1.454700       1.170900    
 C  -0.4118000       3.141000      -1.251400    
 C   -3.661200     -0.4300000      0.2478000    
 C    1.504100       1.851000      -2.175800    
 C   -2.990800     -0.2171000     -0.9566000    
 C   -3.004600      -1.048900       1.311700    
 C   -1.219600       2.781600      0.9971000    
 C   -1.303000       3.450700     -0.2239000    
 C   -5.080200      3.8999999E-03  0.3985000    
 H  -0.1870000       1.291100       2.147900    
 H   -1.152700     -0.4567000      -2.042200    
 H   -1.175500      -1.933000       2.008100    
 H  -0.4898000       3.672700      -2.195900    
 H    2.494300       2.271500      -1.981600    
 H    1.590500      0.7720000      -2.337500    
 H    1.149400       2.274500      -3.122500    
 H   -3.491700      0.2625000      -1.793300    
 H   -3.516300      -1.221000       2.254900    
 H   -1.913800       3.022100       1.796900    
 H   -2.062300       4.212500     -0.3746000    
 H   -5.304500      0.2688000       1.437400    
 H   -5.288100      0.8907000     -0.2097000    
 H   -5.754100     -0.8008000      8.8299997E-02


%chk=000178684-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178684

0 1
S 4.176002 -0.578699 0.411082
S 2.485775 -3.389306 -0.073363
S 3.618717 2.477720 0.704644
S -0.468798 -4.320663 -0.443869
N 1.726821 0.474643 0.294382
N 0.413294 -1.705651 -0.047608
C 1.573333 -0.920142 0.132205
C 0.664108 1.471457 0.209170
C 2.751285 -1.633245 0.156065
C -0.961306 -1.222750 -0.008885
C 3.057187 0.905996 0.475183
C 0.651941 -3.089477 -0.197011
C 0.448294 2.143172 -1.023731
C -0.062172 1.790178 1.373847
C -1.570419 -0.725413 -1.178065
C -1.690428 -1.330478 1.193698
C -0.552747 3.144917 -1.047272
C -3.670393 -0.392390 0.068295
C 1.272294 1.825927 -2.254616
C -2.916018 -0.305736 -1.130349
C -3.035788 -0.911751 1.227154
C -1.055226 2.790676 1.324083
C -1.298698 3.468535 0.108198
C -5.129077 0.025903 0.101152
H 0.161817 1.265497 2.308192
H -1.002262 -0.677286 -2.112760
H -1.211407 -1.750206 2.084145
H -0.739748 3.682378 -1.984106
H 2.318330 2.159350 -2.116840
H 1.306306 0.741085 -2.466608
H 0.866891 2.336499 -3.144032
H -3.388050 0.088872 -2.037488
H -3.602835 -0.994343 2.161680
H -1.623451 3.042888 2.225208
H -2.062041 4.253061 0.061422
H -5.430401 0.371018 1.105532
H -5.334889 0.838430 -0.617327
H -5.787643 -0.823366 -0.165406


