%chk=000081600.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081600

0 1
 S   -2.107500       1.577100      0.3986000    
 S    3.204800      2.0000001E-03   1.081200    
 N   -2.510200     -0.8275000     -0.4426000    
 N   -4.418100      0.5642000     -0.4284000    
 N    4.113400      0.8814000      -1.476000    
 C  -0.7531000      0.5106000      0.3644000    
 C   -1.164900     -0.7360000     -0.1162000    
 C   0.5780000      0.7592000      0.7364000    
 C  -0.2087000      -1.769100     -0.2270000    
 C    1.504200     -0.2802000      0.6168000    
 C    1.118100      -1.528600      0.1417000    
 C   -3.097700      0.3234000     -0.2120000    
 C    3.741700      0.5235000     -0.4369000    
 H   0.8698000       1.738100       1.107300    
 H  -0.4997000      -2.748100     -0.5970000    
 H    1.837800      -2.339000      4.8400000E-02
 H   -4.834700       1.469500     -0.2373000    
 H   -5.039700     -0.1518000     -0.7898000    


%chk=000081600-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000081600

0 1
S -2.127046 1.724784 0.413912
S 3.274040 -0.058231 1.072432
N -2.568139 -0.830605 -0.406284
N -4.527605 0.532911 -0.413988
N 4.471690 1.014407 -1.403812
C -0.744334 0.545168 0.354937
C -1.200240 -0.739423 -0.104570
C 0.597261 0.780914 0.694628
C -0.270831 -1.799833 -0.220759
C 1.496799 -0.300832 0.560050
C 1.080845 -1.577629 0.112658
C -3.192135 0.315302 -0.205259
C 3.952616 0.575052 -0.416112
H 0.946462 1.755182 1.046314
H -0.615042 -2.776679 -0.570653
H 1.810790 -2.387349 0.023630
H -4.958505 1.438075 -0.250997
H -5.093127 -0.242515 -0.754524


