%chk=000056145.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056145

0 1
 O    3.556200      -1.915600      0.7078000    
 O    1.598500      -1.548900     -0.3856000    
 N   -1.421700      0.4805000      4.7699999E-02
 N    2.111700       1.191300     -0.1613000    
 C   -2.183600      0.1199000      -1.163400    
 C   -2.642300      -1.347900      -1.068400    
 C   -2.172400      0.2750000       1.291400    
 C   -3.425100      -1.634100      0.2097000    
 C   -2.634900      -1.175600       1.428800    
 C  -0.8578000       1.826200     -8.8000000E-03
 C   -3.365200       1.045200      -1.493300    
 C   0.1683000       2.078000       1.094300    
 C    1.357700       1.113400       1.084100    
 C    3.229800      0.2586000     -0.1512000    
 C    4.006000      0.3726000      -1.456200    
 C    2.674900      -1.138900      2.4499999E-02
 H   -1.494200      0.1688000      -2.017200    
 H   -1.758500      -1.999600      -1.094000    
 H   -3.249900      -1.616300      -1.940800    
 H   -3.035500      0.9491000       1.352200    
 H   -1.556200      0.4697000       2.173700    
 H   -3.636600      -2.706600      0.2848000    
 H   -4.393200      -1.120700      0.1809000    
 H   -3.249200      -1.285500       2.329800    
 H   -1.760200      -1.826100       1.558900    
 H   -1.644400       2.587000      7.2600000E-02
 H  -0.3716000       1.985300     -0.9795000    
 H   -3.026500       2.064000      -1.706700    
 H   -3.887800      0.6897000      -2.388500    
 H   -4.098500       1.095600     -0.6831000    
 H  -0.2927000       2.083200       2.087600    
 H   0.5514000       3.099900      0.9637000    
 H   0.9766000      0.1117000       1.302100    
 H    2.013700       1.386400       1.921000    
 H    2.451700       2.142500     -0.2997000    
 H    3.895500      0.4937000      0.6888000    
 H    4.410700       1.381500      -1.590900    
 H    4.845500     -0.3314000      -1.467400    
 H    3.375100      0.1378000      -2.321500    
 H    3.219900      -2.829100      0.8293000    


%chk=000056145-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056145

0 1
O 3.399770 -2.045287 -1.044115
O 1.428612 -0.947953 -1.587535
N -1.577470 0.485823 0.396705
N 2.269482 1.282836 0.039896
C -1.934411 -0.304839 -0.822436
C -2.501611 -1.679553 -0.382378
C -2.701060 0.679185 1.342324
C -3.683466 -1.543107 0.607184
C -3.264769 -0.676722 1.816496
C -0.814247 1.726893 0.123697
C -2.889615 0.431417 -1.809470
C 0.220404 2.021441 1.236386
C 1.389214 1.017217 1.198234
C 3.237854 0.249897 -0.319524
C 4.336574 0.831587 -1.246606
C 2.550100 -0.919935 -1.045185
H -0.980326 -0.487239 -1.352426
H -1.686048 -2.246046 0.108382
H -2.809688 -2.251188 -1.279659
H -3.530455 1.288038 0.894967
H -2.329693 1.250476 2.214131
H -4.014906 -2.544305 0.943996
H -4.552313 -1.075088 0.101347
H -4.124152 -0.506846 2.494521
H -2.478997 -1.204665 2.391842
H -1.486116 2.611481 -0.004424
H -0.256598 1.593134 -0.821568
H -2.471179 1.412078 -2.101957
H -3.014927 -0.167207 -2.731122
H -3.893283 0.603764 -1.380320
H -0.266010 1.974310 2.229991
H 0.607360 3.056313 1.120839
H 0.949913 0.007710 1.086858
H 1.947966 1.034706 2.166235
H 2.683524 2.221614 0.056383
H 3.745434 -0.206460 0.565506
H 4.908069 1.608410 -0.706056
H 5.038299 0.044146 -1.565005
H 3.876667 1.290327 -2.139720
H 2.957296 -2.786060 -1.540215


