%chk=000051724.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051724

0 1
 O   0.4141000       2.405400       1.183000    
 O  -0.2270000      -4.418300      -1.071500    
 O    3.511500       1.464400     -0.6301000    
 O    6.122600       1.051900     -7.7799998E-02
 N    1.568600      0.3619000      0.9872000    
 N    5.126000      0.7559000      0.8621000    
 C  -0.6916000      0.4242000      0.1683000    
 C  -2.9200001E-02 -0.9437000      5.1000002E-03
 C   0.4783000       1.229600      0.8485000    
 C    1.276500     -0.9148000      0.4980000    
 C   -1.871700      0.3821000       1.080700    
 C   -1.040000       1.051100      -1.140400    
 C  -0.5506000      -2.118200     -0.5233000    
 C    2.843500      0.7154000       1.567100    
 C    2.094100      -2.033300      0.4735000    
 C   -3.157900      0.2805000      0.5518000    
 C   -1.509700       2.363400      -1.181100    
 C   -1.687200      0.4446000       2.461500    
 C  -0.8958000      0.3238000      -2.321300    
 C   0.2607000      -3.255100     -0.5558000    
 C    1.573300      -3.212400     -6.1500002E-02
 C    3.835700       1.009100      0.4641000    
 C   -4.261000      0.2413000       1.404700    
 C   -1.835500       2.949200      -2.404300    
 C   -2.790200      0.4055000       3.314300    
 C   -1.221600      0.9097000      -3.544600    
 C   -4.077100      0.3038000       2.786000    
 C   -1.691400       2.222400      -3.586100    
 C   -1.567300      -4.399400      -1.558200    
 H   -1.578800      -2.104100     -0.8649000    
 H    3.188500     -8.4100001E-02   2.230400    
 H    2.729900       1.628400       2.162200    
 H    3.109700      -2.015800      0.8524000    
 H   -3.351500      0.1920000     -0.5130000    
 H   -1.640900       2.951700     -0.2772000    
 H  -0.7036000      0.4987000       2.918100    
 H  -0.4960000     -0.6752000      -2.402800    
 H    2.193800      -4.104600     -9.2600003E-02
 H   -5.262700      0.1534000      0.9942000    
 H   -2.202900       3.970600      -2.436800    
 H   -2.647300      0.4477000       4.390100    
 H   -1.099800      0.3489000      -4.466800    
 H   -4.935700      0.2699000       3.450200    
 H   -1.943100       2.679300      -4.538600    
 H    5.418800      0.3261000       1.732300    
 H   -1.787300      -5.402600      -1.937900    
 H   -1.681200      -3.708000      -2.400100    
 H   -2.284500      -4.198300     -0.7551000    
 H    6.729900      0.3079000      7.2800003E-02


%chk=000051724-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051724

0 1
O 0.456858 2.456832 1.292018
O -0.257510 -4.555314 -0.867143
O 3.795512 1.098344 -0.870558
O 6.291762 0.481146 -0.157251
N 1.588564 0.416846 0.957961
N 5.215959 0.454906 0.796119
C -0.694812 0.461251 0.211172
C -0.066491 -0.931007 0.063479
C 0.472839 1.267617 0.884609
C 1.279231 -0.892632 0.493752
C -1.947389 0.393931 1.110125
C -0.967362 1.164514 -1.143169
C -0.633839 -2.128920 -0.397271
C 2.879082 0.874034 1.444060
C 2.099381 -2.036458 0.458526
C -3.205812 0.077639 0.536451
C -1.643416 2.412737 -1.139901
C -1.860300 0.546991 2.515934
C -0.502164 0.638852 -2.372471
C 0.181583 -3.292561 -0.431463
C 1.535802 -3.241012 -0.012847
C 3.965139 0.819651 0.362079
C -4.348132 -0.087871 1.348726
C -1.867621 3.108558 -2.345528
C -3.003367 0.383709 3.330054
C -0.728668 1.336810 -3.581022
C -4.251686 0.061825 2.751601
C -1.414504 2.571317 -3.573831
C -1.651205 -4.671488 -1.301556
H -1.681204 -2.152245 -0.710535
H 3.192569 0.295235 2.336535
H 2.732163 1.929013 1.748833
H 3.147385 -2.009598 0.773460
H -3.294760 -0.015777 -0.552076
H -1.977732 2.840031 -0.188779
H -0.904710 0.811458 2.980779
H 0.044301 -0.309333 -2.391323
H 2.128375 -4.159090 -0.063347
H -5.313077 -0.326279 0.887046
H -2.389065 4.072102 -2.326618
H -2.919652 0.513263 4.415016
H -0.360106 0.918511 -4.524437
H -5.138290 -0.062211 3.383402
H -1.586878 3.113038 -4.510741
H 5.548213 0.256740 1.738420
H -1.776071 -5.726130 -1.587482
H -1.857035 -4.022318 -2.175234
H -2.351617 -4.422106 -0.480583
H 5.795157 0.747350 -0.998189


