%chk=000136389.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000136389

0 1
 O   2.1500001E-02 -2.8600000E-02   2.390300    
 O    5.855500     -0.9432000      -1.632600    
 O   -3.115700      -5.501300      0.2090000    
 O   -1.969900       5.706400      -1.181300    
 O    6.408300      0.2796000      0.1047000    
 O   -3.592400      -4.539400      -1.705900    
 O   -3.818600       4.964300     -0.2589000    
 N    5.547000     -0.2994000     -0.6006000    
 N   -3.024000      -4.535600     -0.5871000    
 N   -2.608900       4.822500     -0.5607000    
 C   6.3400000E-02  1.1400000E-02  0.9273000    
 C    1.497900     -7.0100002E-02  0.5279000    
 C  -0.7841000      -1.237300      0.5112000    
 C  -0.6710000       1.333700      0.5187000    
 C    1.864200     -0.7821000     -0.6143000    
 C  -0.8582000      -2.264000       1.399000    
 C   5.5199999E-02   2.267200     -0.1501000    
 C    2.473400      0.5652000       1.296200    
 C   -1.384700      -1.205300     -0.7078000    
 C   -1.980000       1.450600      0.8632000    
 C    3.205900     -0.8586000     -0.9880000    
 C   -1.613200      -3.376800       1.028500    
 C  -0.5982000       3.444700     -0.5138000    
 C    3.815100      0.4886000      0.9226000    
 C   -2.139600      -2.318200      -1.078400    
 C   -2.633600       2.628000      0.4995000    
 C    4.181300     -0.2234000     -0.2195000    
 C   -2.253700      -3.404000     -0.2102000    
 C   -1.942600       3.625000     -0.1889000    
 H    1.149700      -1.281300      -1.257500    
 H  -0.3519000      -2.288700       2.356900    
 H    1.093100       2.172300     -0.4389000    
 H    2.215500       1.137000       2.183500    
 H   -1.290600     -0.3835000      -1.408600    
 H   -2.525600      0.6927000       1.414400    
 H  -0.2080000      0.8504000       2.735400    
 H    3.454700      -1.418600      -1.885900    
 H   -1.675500      -4.207000       1.727600    
 H  -2.9800000E-02   4.198700      -1.052600    
 H    4.547300      0.9986000       1.543400    
 H   -2.620600      -2.306500      -2.053200    
 H   -3.680400       2.735400      0.7726000    


%chk=000136389-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000136389

0 1
O 0.086674 0.318137 2.458170
O 5.729889 -0.244566 -2.249180
O -3.248693 -5.477366 0.956199
O -2.145979 6.102592 -0.722111
O 6.324423 -1.156497 -0.243844
O -2.902176 -5.203162 -1.282143
O -4.077344 4.903936 -0.923790
N 5.467612 -0.611186 -1.039709
N -2.783322 -4.823081 -0.054144
N -2.816791 5.001473 -0.668402
C 0.040851 0.179574 0.979804
C 1.483066 0.035894 0.432924
C -0.710109 -1.142448 0.714322
C -0.709251 1.417425 0.436569
C 1.832869 0.421860 -0.887177
C -1.246967 -1.893976 1.787079
C -0.026991 2.663116 0.353230
C 2.462066 -0.575524 1.257553
C -0.865055 -1.614783 -0.615307
C -2.098424 1.378586 0.157520
C 3.136197 0.213265 -1.377333
C -1.926027 -3.105278 1.543102
C -0.706946 3.841252 -0.005804
C 3.770227 -0.790451 0.784950
C -1.544462 -2.817655 -0.876842
C -2.795472 2.546237 -0.208397
C 4.088755 -0.390626 -0.530449
C -2.065963 -3.549456 0.212515
C -2.087777 3.763152 -0.285033
H 1.091723 0.901224 -1.535098
H -1.127538 -1.519928 2.805697
H 1.047848 2.713918 0.560387
H 2.184377 -0.879762 2.270728
H -0.452363 -1.046252 -1.454518
H -2.642846 0.432980 0.228631
H 0.431262 1.220924 2.681164
H 3.425601 0.507730 -2.389430
H -2.346202 -3.702135 2.356829
H -0.196071 4.805010 -0.075643
H 4.538153 -1.259280 1.405782
H -1.674542 -3.197500 -1.893353
H -3.866078 2.532024 -0.428349


