%chk=000086287.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086287

0 1
 O   -5.674600      0.3912000     -0.9052000    
 N   -3.049500      0.2646000      0.1354000    
 N  -0.9788000       1.401600     -8.8000000E-03
 N    5.333800      0.1819000     -0.1195000    
 N   -2.311900      -3.237300      0.3591000    
 C    1.094100      0.1577000      1.4600000E-02
 C   -1.632700      0.2229000      9.4599999E-02
 C   -3.785100       1.484700      7.2300002E-02
 C    2.537400      0.1657000     -3.0700000E-02
 C   -1.003600      -1.009800      0.1618000    
 C   0.3861000      -1.034300      0.1205000    
 C   0.3711000       1.338200     -4.6200000E-02
 C   -5.277900       1.217600      0.1813000    
 C    3.227100     -0.9115000     -0.5793000    
 C    3.248000       1.251000      0.4735000    
 C    4.611400     -0.8551000     -0.5998000    
 C    4.631400       1.210600      0.4059000    
 C   -1.726000      -2.239700      0.2707000    
 H   -3.485400       2.158600      0.8830000    
 H   -3.581100       1.984100     -0.8824000    
 H   -3.501100     -0.5271000      0.5821000    
 H   0.8937000      -1.993200      0.1989000    
 H   0.8386000       2.311600     -0.1560000    
 H   -5.842400       2.152900      0.1255000    
 H   -5.534400      0.7106000       1.117300    
 H    2.736000      -1.775900      -1.013000    
 H    2.774800       2.110200      0.9365000    
 H    5.194600      -1.666600      -1.022700    
 H    5.230700       2.029200      0.7909000    
 H   -5.170900     -0.4381000     -0.8442000    


%chk=000086287-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086287

0 1
O -4.731582 1.181477 -1.723853
N -3.151987 0.123690 0.634427
N -1.138095 1.274432 0.191467
N 5.337422 0.289022 -0.508814
N -2.402571 -3.340552 1.076818
C 1.021961 0.093546 0.093046
C -1.783411 0.096663 0.459332
C -3.965832 1.354609 0.647834
C 2.489984 0.159699 -0.110663
C -1.049393 -1.149189 0.549407
C 0.350442 -1.124994 0.364730
C 0.204227 1.257999 0.015307
C -5.155555 1.246718 -0.325427
C 3.216888 -0.930097 -0.665337
C 3.240819 1.316503 0.238024
C 4.613088 -0.823365 -0.837695
C 4.634790 1.336252 0.019647
C -1.754368 -2.361419 0.835717
H -4.340085 1.553134 1.673069
H -3.302087 2.181957 0.351039
H -3.607518 -0.755175 0.897439
H 0.910289 -2.060441 0.460696
H 0.651004 2.228662 -0.229492
H -5.772791 2.157338 -0.249927
H -5.792063 0.372387 -0.060729
H 2.705023 -1.843318 -0.987191
H 2.757074 2.183671 0.699457
H 5.186296 -1.654538 -1.263718
H 5.226337 2.220249 0.283389
H -4.044904 0.471380 -1.811898


