%chk=000047260.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047260

0 1
 O  -0.4593000      -1.036600      -2.681800    
 N  -0.2509000       2.505500     -0.1531000    
 C  -0.1528000       1.419200      -1.150900    
 C  -2.3100000E-02 -5.6499999E-02 -0.4470000    
 C   -1.328200     -0.2689000      0.3987000    
 C    1.282500     -0.2467000      0.4101000    
 C    1.073300       1.785300      -2.033000    
 C   -1.400900       1.568400      -2.055400    
 C   5.3199999E-02  -1.183700      -1.569400    
 C   0.7666000      -2.497200      -1.236500    
 C  -0.4445000       3.782100     -0.8282000    
 C   0.9475000       2.527300      0.6751000    
 C   -1.517800      0.5527000       1.462700    
 C    1.119900     -0.5578000       1.719700    
 C   -2.168800      -1.258500      2.0000001E-03
 C    2.467200     -8.4100001E-02 -0.2291000    
 C   0.1932000      -3.677400      -2.005100    
 C   -2.678100      0.3639000       2.213900    
 C    2.277800     -0.7266000       2.479300    
 C   -3.328800      -1.447400      0.7534000    
 C    3.625100     -0.2527000      0.5306000    
 C   -3.583800     -0.6361000       1.859300    
 C    3.530500     -0.5743000       1.884700    
 H    1.282000      0.9561000      -2.721200    
 H    2.019900       2.045800      -1.567200    
 H   0.8603000       2.609600      -2.726000    
 H   -1.339800       2.407700      -2.758500    
 H   -1.605300      0.7200000      -2.702300    
 H   -2.314100       1.697400      -1.459600    
 H   0.6511000      -2.722300     -0.1725000    
 H    1.829300      -2.399900      -1.474200    
 H   -1.396500       3.879900      -1.357200    
 H   0.3779000       4.118200      -1.466000    
 H  -0.5298000       4.561400     -5.7200000E-02
 H   0.9996000       1.828500       1.498200    
 H   0.8964000       3.462800       1.256700    
 H    1.919800       2.623600      0.1927000    
 H  -0.8684000       1.320900       1.835700    
 H   0.2072000     -0.7967000       2.240600    
 H   -2.039000      -1.909500     -0.8493000    
 H    2.593500      5.2099999E-02  -1.291500    
 H  -0.8766000      -3.798500      -1.808400    
 H   0.3219000      -3.544500      -3.084300    
 H   0.7012000      -4.602500      -1.715200    
 H   -2.873900      0.9893000       3.080200    
 H    2.206300      -1.000800       3.527900    
 H   -4.035900      -2.224000      0.4764000    
 H    4.600700     -0.1606000      6.2100001E-02
 H   -4.486400     -0.7839000       2.444800    
 H    4.432000     -0.7171000       2.473200    


%chk=000047260-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047260

0 1
O 0.130482 -1.063068 -2.788395
N 0.024245 2.484121 -0.103812
C 0.027783 1.445724 -1.197190
C 0.095373 -0.056430 -0.494089
C -1.245423 -0.271363 0.260495
C 1.360485 -0.228081 0.400371
C 1.191709 1.715648 -2.197651
C -1.280003 1.521522 -2.033638
C 0.224977 -1.228860 -1.543325
C 0.504179 -2.639307 -0.989140
C -0.982321 3.561973 -0.147562
C 1.328500 3.013325 0.348698
C -1.594484 0.517638 1.393375
C 1.325895 -0.362561 1.812054
C -2.221696 -1.189267 -0.215621
C 2.636124 -0.335687 -0.228620
C -0.047038 -3.763254 -1.888690
C -2.846747 0.373222 2.030031
C 2.510044 -0.535399 2.565673
C -3.472288 -1.342067 0.423061
C 3.820564 -0.503793 0.517332
C -3.792396 -0.564510 1.557344
C 3.767895 -0.592912 1.927636
H 1.191857 0.967454 -3.005521
H 2.183565 1.732809 -1.721521
H 1.029396 2.711748 -2.652026
H -1.355080 2.505197 -2.529316
H -1.243038 0.747056 -2.814857
H -2.187468 1.361698 -1.431118
H 0.127850 -2.716852 0.046270
H 1.605245 -2.740581 -0.913114
H -1.999489 3.160178 -0.267823
H -0.807170 4.319124 -0.951850
H -0.954097 4.102215 0.818359
H 2.063340 2.207192 0.483404
H 1.191922 3.503826 1.331788
H 1.766011 3.772523 -0.344341
H -0.896163 1.287106 1.729430
H 0.369740 -0.352318 2.339049
H -2.030687 -1.785372 -1.114772
H 2.707411 -0.307477 -1.321120
H -1.152512 -3.769809 -1.897753
H 0.293653 -3.629829 -2.929120
H 0.294517 -4.749064 -1.526397
H -3.082091 1.000850 2.897593
H 2.442727 -0.631177 3.655557
H -4.197301 -2.061074 0.024857
H 4.781708 -0.575927 -0.004415
H -4.761519 -0.679879 2.055679
H 4.685014 -0.723328 2.512639


