%chk=000045398.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045398

0 1
 O  -0.3744000      0.9789000     -0.4432000    
 N    4.321200      0.4269000     -0.4918000    
 N    3.085000     -0.1855000     -0.8897000    
 C    6.857900      0.4104000      0.9415000    
 C    6.774400      0.1866000     -0.5651000    
 C    5.651500       1.202900       1.434700    
 C    5.425900     -0.4166000     -0.9643000    
 C    4.339800      0.5660000      0.9705000    
 C    1.999000      0.6818000     -0.4652000    
 C   0.6568000      0.1098000     -0.8929000    
 C   -1.659600      0.4981000     -0.8128000    
 C   -1.868700     -0.9297000     -0.3467000    
 C   -2.735200       1.444100     -0.3205000    
 C   -2.013000      -1.930800      -1.289300    
 C   -1.909700      -1.194700       1.009600    
 C   -3.914800       1.554400      -1.035100    
 C   -2.513700       2.175700      0.8328000    
 C   -2.249900      -3.532600      0.5037000    
 C   -2.205400      -3.244100     -0.8602000    
 C   -2.102000      -2.508100       1.438600    
 C   -4.905400       2.425400     -0.5817000    
 C   -3.504600       3.046500       1.286100    
 C   -4.700500       3.171300      0.5788000    
 C   -2.454600      -4.936800      0.9623000    
 H    7.783800      0.9394000       1.192500    
 H    6.891500     -0.5593000       1.453200    
 H    6.917900       1.142600      -1.084700    
 H    7.586000     -0.4763000     -0.8856000    
 H    5.670800       1.258700       2.529200    
 H    5.714900       2.232900       1.060700    
 H    5.347600      -1.436200     -0.5625000    
 H    5.398400     -0.4953000      -2.058600    
 H    3.580900       1.256800       1.347900    
 H    4.198600     -0.4017000       1.470800    
 H    3.064200     -0.2735000      -1.905800    
 H    1.904800      0.7720000      0.6211000    
 H    2.106300       1.697000     -0.8696000    
 H   0.5704000     -0.8888000     -0.4520000    
 H   0.6146000      2.4100000E-02  -1.985800    
 H   -1.691700      0.5342000      -1.911600    
 H   -1.979900      -1.718300      -2.353600    
 H   -1.780900     -0.4168000       1.754700    
 H   -4.084500      0.9766000      -1.938900    
 H   -1.594200       2.092900       1.404300    
 H   -2.320800      -4.033400      -1.598300    
 H   -2.132800      -2.720800       2.504000    
 H   -5.836800       2.522200      -1.132000    
 H   -3.346000       3.626400       2.190600    
 H   -5.472100       3.849000      0.9322000    
 H   -3.523500      -5.142700       1.076100    
 H   -1.958600      -5.115300       1.922300    
 H   -2.033700      -5.651500      0.2469000    


%chk=000045398-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045398

0 1
O -0.380630 0.774306 -0.387058
N 4.410007 0.185560 0.104681
N 3.210851 -0.148189 -0.639393
C 7.286667 0.550949 0.582550
C 6.320683 1.751838 0.454580
C 6.519858 -0.700197 1.072143
C 5.111477 1.388280 -0.431846
C 5.309983 -0.995994 0.161350
C 2.016063 0.606539 -0.195755
C 0.759101 -0.078019 -0.749967
C -1.674292 0.267719 -0.888215
C -2.056619 -1.053640 -0.219578
C -2.708514 1.379403 -0.679821
C -2.198197 -2.238466 -0.976192
C -2.250121 -1.116460 1.184317
C -4.080604 1.109533 -0.916338
C -2.318983 2.685443 -0.297766
C -2.732420 -3.530623 1.051572
C -2.536289 -3.461241 -0.349252
C -2.580073 -2.335021 1.807364
C -5.047027 2.129408 -0.778935
C -3.288701 3.704551 -0.151798
C -4.654281 3.433350 -0.394796
C -3.091710 -4.838725 1.735518
H 8.115592 0.793628 1.274017
H 7.742043 0.338158 -0.407146
H 5.949339 2.036212 1.458004
H 6.838768 2.631650 0.026945
H 7.185532 -1.584348 1.094840
H 6.153339 -0.529907 2.102912
H 5.462419 1.203692 -1.483361
H 4.390091 2.225356 -0.459883
H 4.715808 -1.843225 0.541563
H 5.676874 -1.271054 -0.862716
H 3.361207 -0.068144 -1.666916
H 2.001700 0.576313 0.905769
H 2.007119 1.677688 -0.504483
H 0.655136 -1.091678 -0.316774
H 0.813320 -0.176413 -1.859603
H -1.574238 0.080139 -1.984321
H -2.043034 -2.209771 -2.062780
H -2.135567 -0.202648 1.778307
H -4.392908 0.096162 -1.196180
H -1.260206 2.885131 -0.114043
H -2.643748 -4.370200 -0.953531
H -2.725182 -2.366647 2.894663
H -6.103880 1.906755 -0.965567
H -2.976192 4.711120 0.149775
H -5.403875 4.225239 -0.283948
H -4.056639 -4.760086 2.270981
H -2.328312 -5.122993 2.484169
H -3.175535 -5.665631 1.009541


