%chk=000004774.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004774

0 1
 O    3.807600      -3.639300     -0.4237000    
 N  -0.1809000      0.1400000      0.4325000    
 N    2.155300       2.853000      0.8120000    
 N   0.8212000       2.578600     -0.9421000    
 C   0.2000000       1.367700       1.149300    
 C   -1.567000     -4.5800000E-02  0.2508000    
 C   0.8397000     -0.8280000      0.2143000    
 C    1.047900       2.274400      0.2974000    
 C   -2.131500      -1.308100      0.4348000    
 C   -2.373400       1.032500     -0.1130000    
 C   0.6570000      -1.809100     -0.7508000    
 C    2.004400     -0.7767000      0.9682000    
 C   -4.308900     -0.4135000     -0.1087000    
 C   -3.502400      -1.491900      0.2551000    
 C   -3.744400      0.8487000     -0.2927000    
 C    1.657600      -2.756800     -0.9659000    
 C    3.005100      -1.724400      0.7531000    
 C    2.831600      -2.714400     -0.2139000    
 C   -5.774600     -0.6101000     -0.3007000    
 C    2.698000       3.604400     -0.1919000    
 C    1.857500       3.418700      -1.264300    
 H   0.6674000       1.146600       2.116300    
 H  -0.6707000       1.961700       1.458800    
 H   -1.544400      -2.162500      0.7596000    
 H   -1.967400       2.022500     -0.2998000    
 H  -0.2238000      -1.847800      -1.384600    
 H    2.202800     -5.1100001E-02   1.746700    
 H   -3.932600      -2.477600      0.4121000    
 H   -4.361800       1.695100     -0.5819000    
 H    2.519000       2.755400       1.751200    
 H    1.514600      -3.517500      -1.728800    
 H    3.916400      -1.689500       1.344200    
 H    3.601200       4.181200     -5.5100001E-02
 H   -6.170400      7.9800002E-02  -1.053700    
 H   -5.995000      -1.624900     -0.6491000    
 H   -6.303100     -0.4406000      0.6426000    
 H    1.945900       3.847500      -2.252000    
 H    3.520200      -4.246800      -1.126700    


%chk=000004774-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004774

0 1
O 4.011922 -3.582595 -0.341274
N -0.150956 0.108432 0.885531
N 2.140721 2.127231 -0.124586
N 0.375253 3.523990 0.036615
C 0.248468 1.419609 1.457572
C -1.507997 -0.054159 0.455144
C 0.868624 -0.840750 0.577072
C 0.902698 2.357622 0.473716
C -2.145185 -1.323369 0.543268
C -2.268941 1.054817 -0.007354
C 0.760522 -1.702678 -0.552902
C 2.057988 -0.931149 1.362420
C -4.268862 -0.372124 -0.282076
C -3.495039 -1.473436 0.170778
C -3.625711 0.888006 -0.359728
C 1.779541 -2.621602 -0.871159
C 3.085231 -1.840405 1.038267
C 2.949733 -2.694157 -0.077715
C -5.736567 -0.534085 -0.638468
C 2.409383 3.196055 -0.986617
C 1.310973 4.051456 -0.868727
H 0.906291 1.254953 2.330328
H -0.651339 1.926642 1.837043
H -1.583954 -2.184797 0.920178
H -1.800938 2.039824 -0.113861
H -0.124284 -1.642451 -1.192653
H 2.178864 -0.315130 2.259241
H -3.962583 -2.462804 0.252293
H -4.189814 1.759237 -0.715279
H 2.712191 1.290275 0.004612
H 1.662948 -3.268676 -1.750664
H 3.987937 -1.909629 1.652774
H 3.316126 3.253352 -1.582227
H -6.053647 0.206582 -1.394024
H -5.948684 -1.541275 -1.039487
H -6.383383 -0.392531 0.249875
H 1.135471 4.998702 -1.372507
H 3.815099 -4.137584 -1.135819


