%chk=000004930.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004930

0 1
 O   -1.644500       1.070600      -1.855100    
 N   -3.721600      0.3355000      7.9999998E-04
 C   -1.420400       1.157100     -0.4416000    
 C   -2.303900      0.1225000      0.2830000    
 C   3.1099999E-02  0.9508000     -0.1663000    
 C   -4.538800     -0.6553000      0.6844000    
 C   0.6314000     -0.2715000     -0.4697000    
 C    1.996600     -0.4819000     -0.2161000    
 C   0.7854000       1.977500      0.3940000    
 C    2.763800      0.5622000      0.3533000    
 C   -4.159300      -2.060800      0.2266000    
 C   -6.013000     -0.3708000      0.4155000    
 C    2.143000       1.785900      0.6527000    
 C    2.617200      -1.705600     -0.5153000    
 C    4.129100      0.3518000      0.6068000    
 C    3.974600      -1.897300     -0.2564000    
 C    4.729300     -0.8707000      0.3034000    
 H   -1.724000       2.166300     -0.1360000    
 H   -2.114300      0.1704000       1.362800    
 H   -2.005500     -0.8662000     -7.4199997E-02
 H   -4.384700     -0.5835000       1.768800    
 H   -3.991100       1.273500      0.2964000    
 H   4.7600001E-02  -1.070000     -0.9235000    
 H   0.3324000       2.935200      0.6364000    
 H   -4.913600      -2.784200      0.5583000    
 H   -4.101800      -2.133700     -0.8656000    
 H   -3.210000      -2.399400      0.6537000    
 H   -6.290900      0.6314000      0.7608000    
 H   -6.649400      -1.089300      0.9432000    
 H   -6.246400     -0.4375000     -0.6533000    
 H    2.713300       2.602300       1.091000    
 H    2.047200      -2.522400     -0.9532000    
 H   -2.599900       1.176600      -2.003000    
 H    4.738200       1.140300       1.043900    
 H    4.442300      -2.848700     -0.4924000    
 H    5.786000      -1.020700      0.5045000    


%chk=000004930-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000004930

0 1
O -1.820043 0.163783 -1.746364
N -3.744776 0.455762 0.073038
C -1.431386 0.995498 -0.615521
C -2.359463 0.606690 0.586418
C 0.037039 0.800528 -0.277895
C -4.610373 -0.575892 0.725425
C 0.756977 -0.287103 -0.777822
C 2.131183 -0.490333 -0.424079
C 0.687855 1.738147 0.593633
C 2.780754 0.451344 0.466850
C -4.196006 -1.992311 0.272126
C -6.079734 -0.285119 0.358896
C 2.023132 1.565747 0.958923
C 2.889468 -1.599087 -0.929045
C 4.156015 0.246104 0.818403
C 4.227862 -1.774977 -0.569006
C 4.867248 -0.844885 0.312815
H -1.607328 2.070619 -0.857025
H -2.266762 1.348568 1.407725
H -2.025316 -0.370023 0.977131
H -4.508959 -0.518803 1.835419
H -4.230087 1.361822 0.012899
H 0.252863 -0.975879 -1.463385
H 0.128250 2.606430 0.964877
H -4.792647 -2.755334 0.804761
H -4.361387 -2.108214 -0.814340
H -3.129529 -2.193795 0.475974
H -6.402385 0.706517 0.730827
H -6.747705 -1.044723 0.800952
H -6.211044 -0.305502 -0.738829
H 2.513085 2.288132 1.623126
H 2.399232 -2.308546 -1.606443
H -2.808758 0.023146 -1.579432
H 4.643903 0.961432 1.491983
H 4.796531 -2.625508 -0.961220
H 5.917690 -0.993831 0.586807


