%chk=000023161.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023161

0 1
 O  -0.7777000       2.700000      -1.748200    
 N    4.335100      2.5000000E-02 -0.2889000    
 N  -0.3533000      0.4954000      -2.157900    
 C  -0.5984000       1.211600      0.2072000    
 C   0.8960000       1.370900      0.6887000    
 C   -1.537300       2.237900      0.9736000    
 C    1.931800      0.5119000     -6.0199998E-02
 C    3.349600      0.8203000      0.4282000    
 C   -1.108400     -0.2404000      0.4131000    
 C    4.171600      -1.409600     -5.5700000E-02
 C    5.704700      0.3238000      0.1285000    
 C    5.487400      -1.987800     -0.5552000    
 C    6.495600     -0.8497000     -0.4307000    
 C  -0.5757000       1.566200      -1.314400    
 C   -1.165100       3.719800      0.7793000    
 C   -1.660900       1.981700       2.484900    
 C   -2.365800     -0.5973000     -1.7200001E-02
 C  -0.2272000      -1.087300       1.034100    
 C   -2.771300      -1.935700      0.1998000    
 C  -0.6258000      -2.403600       1.247200    
 C   -3.247700      0.2932000     -0.6510000    
 C   -1.889400      -2.826500      0.8334000    
 C   -4.046600      -2.344200     -0.2232000    
 C   -4.511200     -0.1298000      -1.064600    
 C   -4.910000      -1.445900     -0.8510000    
 H   0.9856000       1.218800       1.771300    
 H    1.205500       2.409500      0.5222000    
 H   -2.567800       2.200300      0.6301000    
 H    1.748700     -0.5568000     -6.7000002E-02
 H    1.922300      0.8018000      -1.118200    
 H    3.412100      0.6431000       1.510000    
 H    3.557300       1.885200      0.2635000    
 H    3.340400      -1.848500     -0.6156000    
 H    4.044200      -1.641200       1.009600    
 H    5.800900      0.3472000       1.221700    
 H    6.060500       1.277600     -0.2735000    
 H    5.789400      -2.862400      2.9800000E-02
 H    5.405500      -2.296500      -1.604100    
 H    6.905600     -0.6080000      -1.418400    
 H    7.331400      -1.118200      0.2232000    
 H   -1.442300       4.111400     -0.2003000    
 H  -0.1101000       3.928400      0.9659000    
 H   -1.725800       4.341800       1.489200    
 H   -2.002900      0.9648000       2.697600    
 H  -0.7076000       2.138400       2.998800    
 H   -2.392000       2.662100       2.936800    
 H   0.6921000     -0.8272000       1.536100    
 H  -0.3428000      0.6317000      -3.163400    
 H  -0.1429000     -0.4437000      -1.838500    
 H   3.0999999E-02  -3.094500       1.768300    
 H   -3.004300       1.300600     -0.9560000    
 H   -2.183100      -3.857800       1.017700    
 H   -4.378700      -3.368600     -6.8000004E-02
 H   -5.176300      0.5616000      -1.574100    
 H   -5.891700      -1.776000      -1.178200    


%chk=000023161-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000023161

0 1
O -0.955810 2.719879 -1.871825
N 4.429070 0.037033 -0.233452
N -0.392587 0.519344 -2.248895
C -0.605021 1.258029 0.130769
C 0.908839 1.451314 0.516498
C -1.482569 2.314543 0.953148
C 1.975883 0.597015 -0.212598
C 3.339667 0.706347 0.501641
C -1.137914 -0.169138 0.437324
C 4.322663 -1.444199 -0.313551
C 5.784841 0.292134 0.319554
C 5.736421 -1.910804 -0.766110
C 6.678547 -0.696081 -0.464531
C -0.686952 1.570668 -1.402773
C -0.914870 3.757817 0.966654
C -1.740818 1.857581 2.411854
C -2.445776 -0.615905 -0.029988
C -0.407854 -1.034120 1.268236
C -2.928876 -1.930733 0.363464
C -0.886634 -2.322392 1.652228
C -3.311984 0.177196 -0.862772
C -2.126683 -2.768609 1.204537
C -4.214510 -2.385719 -0.083931
C -4.560297 -0.290150 -1.278942
C -5.022471 -1.584793 -0.889643
H 1.006680 1.307385 1.611805
H 1.153462 2.511924 0.330440
H -2.462964 2.363873 0.442021
H 1.671603 -0.465384 -0.262659
H 2.101347 0.943519 -1.253759
H 3.241673 0.297047 1.546345
H 3.606197 1.777325 0.602680
H 3.528908 -1.746303 -1.018580
H 4.072529 -1.883410 0.688660
H 5.833079 0.068882 1.418194
H 6.071117 1.349288 0.175101
H 6.043442 -2.818773 -0.217958
H 5.748739 -2.152604 -1.842397
H 7.014379 -0.231594 -1.407337
H 7.575155 -0.985731 0.110801
H -0.653680 4.094832 -0.048188
H -0.031209 3.846528 1.625885
H -1.687854 4.440573 1.367651
H -2.339038 0.932727 2.468449
H -0.794538 1.683368 2.959261
H -2.290421 2.651832 2.950127
H 0.560329 -0.717044 1.663762
H -0.401587 0.690575 -3.254362
H -0.235079 -0.423571 -1.896999
H -0.270585 -2.951159 2.304307
H -2.997542 1.169137 -1.194775
H -2.508922 -3.755318 1.491838
H -4.551717 -3.382314 0.225893
H -5.190447 0.343304 -1.912822
H -6.003164 -1.940371 -1.223979


