%chk=000019392.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019392

0 1
 S    2.650500      0.8422000      -1.440200    
 N   0.5250000     -6.2000002E-03  0.6638000    
 N   -3.122400     -0.7216000       1.119000    
 N   -3.062800     -0.7218000      -1.772200    
 C   -1.934200     -0.2264000      0.4126000    
 C  -0.7080000     -0.4858000       1.301200    
 C   -1.871300     -0.9319000     -0.9555000    
 C    1.532000     -0.9649000      0.3860000    
 C   0.6427000       1.388500      0.4365000    
 C   -3.260700     -4.8900001E-02   2.408000    
 C   -3.037300      -2.168300       1.298600    
 C    2.564500     -0.6883000     -0.5321000    
 C    1.587200       1.898300     -0.4762000    
 C    1.571000      -2.218100       1.035600    
 C  -0.1474000       2.328900       1.133300    
 C   -2.969800      -1.479000      -3.021000    
 C   -3.248800      0.7023000      -2.053000    
 C    3.565200      -1.639800     -0.7981000    
 C    1.705500       3.282900     -0.6916000    
 C    2.570900      -3.158000      0.7713000    
 C  -2.2200000E-02   3.704300      0.9192000    
 C    3.567300      -2.869800     -0.1489000    
 C   0.9031000       4.181700      3.5000001E-03
 H   -2.053800      0.8467000      0.2492000    
 H  -0.7622000     -3.9000001E-02   2.298400    
 H  -0.6641000      -1.550800       1.481700    
 H   -1.003000     -0.5328000      -1.500100    
 H   -1.641500      -1.998900     -0.8537000    
 H   -3.167500       1.038600       2.310600    
 H   -2.574300     -0.4031000       3.184100    
 H   -4.272900     -0.2275000       2.791100    
 H   -3.974700      -2.494800       1.771200    
 H   -2.253800      -2.525200       1.972700    
 H   -3.017900      -2.745000      0.3712000    
 H   0.8828000      -2.503700       1.824200    
 H  -0.8693000       2.027600       1.886500    
 H   -2.867000      -2.550300      -2.815200    
 H   -2.119300      -1.161700      -3.635300    
 H   -3.885100      -1.362200      -3.611800    
 H   -2.352000       1.167600      -2.478300    
 H   -3.553500       1.259400      -1.162100    
 H   -4.067500      0.8445000      -2.769000    
 H    4.356800      -1.431100      -1.515000    
 H    2.426900       3.676800      -1.404900    
 H    2.576200      -4.107400       1.299100    
 H  -0.6459000       4.398100       1.475200    
 H    4.347300      -3.595700     -0.3566000    
 H    1.004000       5.249000     -0.1671000    


%chk=000019392-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019392

0 1
S 2.342718 0.627975 -1.831722
N 0.568883 -0.126088 0.541574
N -3.196253 -0.660280 1.134193
N -3.133564 -0.814854 -1.812600
C -1.976010 -0.265894 0.400203
C -0.663639 -0.633985 1.185982
C -1.882936 -0.872096 -1.023630
C 1.692842 -0.994262 0.376031
C 0.739912 1.284132 0.387572
C -3.440874 0.068420 2.386859
C -3.528167 -2.091295 1.182038
C 2.644175 -0.750828 -0.654395
C 1.590331 1.798329 -0.630681
C 1.913302 -2.107059 1.233627
C 0.093528 2.214393 1.247179
C -2.940714 -1.420026 -3.145852
C -3.725561 0.534865 -1.890807
C 3.767662 -1.582316 -0.825908
C 1.805475 3.182683 -0.775067
C 3.016260 -2.966005 1.036237
C 0.278554 3.603513 1.079565
C 3.949875 -2.710456 0.007718
C 1.136768 4.096962 0.071820
H -2.015838 0.837365 0.303236
H -0.748968 -0.281450 2.235042
H -0.593593 -1.733614 1.217467
H -1.040594 -0.344451 -1.539750
H -1.583572 -1.938394 -0.953884
H -3.260749 1.148748 2.229248
H -2.815108 -0.259495 3.255660
H -4.499032 -0.056817 2.684744
H -4.543546 -2.208389 1.604550
H -2.835551 -2.710752 1.806483
H -3.550337 -2.490928 0.154926
H 1.232157 -2.294586 2.069124
H -0.549677 1.853010 2.055105
H -2.581508 -2.459967 -3.036191
H -2.201017 -0.869106 -3.782230
H -3.904573 -1.445185 -3.685332
H -3.042870 1.293088 -2.354271
H -4.000969 0.868135 -0.876780
H -4.648374 0.491372 -2.496973
H 4.487217 -1.355588 -1.619866
H 2.481282 3.542334 -1.558248
H 3.153528 -3.824522 1.702752
H -0.240852 4.298475 1.748530
H 4.811034 -3.369394 -0.141989
H 1.287642 5.173682 -0.055389


