%chk=000051188.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051188

0 1
 O   0.7121000      -1.334300      -2.063000    
 N   -2.084300       1.297700     -0.4811000    
 N  -0.4331000      -1.035400     -4.2500000E-02
 C   -1.784200      0.1335000       1.722100    
 C   -2.939200      -1.034900     -0.1163000    
 C   -2.951000     -0.7974000       1.393700    
 C   -1.976100       1.471900      0.9746000    
 C   -3.116100      0.3158000     -0.8452000    
 C  -0.4574000     -0.5566000       1.351400    
 C   -1.630600      -1.745700     -0.5062000    
 C   -2.313300       2.575700      -1.149100    
 C   0.6698000     -0.9420000     -0.8983000    
 C    1.891900     -0.3172000     -0.3804000    
 C    2.857400      -1.099800      0.2473000    
 C    2.080100       1.055400     -0.5197000    
 C    4.019400     -0.5055000      0.7392000    
 C    3.242300       1.649600     -2.8000001E-02
 C    4.212100      0.8692000      0.6015000    
 H   -1.778600      0.3380000       2.799700    
 H   -3.780300      -1.685300     -0.3857000    
 H   -2.854400      -1.745700       1.936100    
 H   -3.901100     -0.3454000       1.703300    
 H   -2.874500       1.968800       1.365000    
 H   -1.123700       2.124500       1.201400    
 H   -3.083000      0.1362000      -1.927000    
 H   -4.114300      0.7124000     -0.6154000    
 H   0.3748000      0.1203000       1.558000    
 H  -0.3128000      -1.442300       1.982300    
 H   -1.598100      -2.741500     -4.7100000E-02
 H   -1.591900      -1.892800      -1.590900    
 H   -1.501800       3.277200     -0.9260000    
 H   -3.260700       3.036300     -0.8471000    
 H   -2.324500       2.445000      -2.236800    
 H    2.716400      -2.171500      0.3599000    
 H    1.329900       1.672100      -1.007600    
 H    4.774300      -1.113100       1.229700    
 H    3.391900       2.720000     -0.1347000    
 H    5.116800       1.331800      0.9847000    


%chk=000051188-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051188

0 1
O 0.762493 -2.055112 -1.627582
N -1.894229 1.306631 -0.457707
N -0.504626 -1.231121 0.143940
C -1.902785 0.132566 1.758365
C -2.971925 -0.971289 -0.194147
C -3.137187 -0.689613 1.318148
C -1.923184 1.487047 1.010961
C -2.932923 0.373535 -0.962118
C -0.616900 -0.706372 1.522287
C -1.721321 -1.859589 -0.411722
C -1.912932 2.589631 -1.182975
C 0.671817 -1.312790 -0.591625
C 1.845917 -0.457798 -0.178210
C 3.129759 -1.048567 -0.075785
C 1.710473 0.948065 -0.040110
C 4.259395 -0.250073 0.206637
C 2.845005 1.748089 0.220879
C 4.119900 1.150341 0.357939
H -1.954829 0.345010 2.844659
H -3.844127 -1.541502 -0.570931
H -3.199396 -1.639543 1.884400
H -4.068430 -0.123297 1.513554
H -2.839576 2.048758 1.341670
H -1.048346 2.101863 1.302606
H -2.734197 0.190765 -2.035792
H -3.955052 0.836378 -0.889215
H 0.283248 -0.120984 1.763182
H -0.645851 -1.568311 2.227087
H -1.896338 -2.844575 0.074623
H -1.528946 -2.053803 -1.479746
H -1.078153 3.229093 -0.841319
H -2.865054 3.162669 -1.038353
H -1.783683 2.408926 -2.265039
H 3.232315 -2.127137 -0.235838
H 0.719767 1.395944 -0.182710
H 5.247638 -0.714957 0.295978
H 2.737555 2.835426 0.308825
H 4.998906 1.770695 0.566985


