%chk=000086388.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086388

0 1
 O    1.777300     -0.8315000      0.4797000    
 O    4.670100      2.6000001E-02  -2.516200    
 O    1.011400     -0.3337000       2.598800    
 N   -1.325000      -3.446000       1.001100    
 C    4.102500     -0.7832000     -0.2775000    
 C    3.114200     -0.5717000      0.8889000    
 C    3.761700      0.1840000      -1.432900    
 C    4.021700      -2.237900     -0.7783000    
 C    5.530600     -0.5161000      0.2315000    
 C   0.8197000     -0.6730000       1.440600    
 C   -1.269100     -1.2900000E-02  0.2709000    
 C  -0.5205000     -0.9846000      0.8544000    
 C  -0.7444000       1.378700      0.2222000    
 C   -2.616800     -0.3028000     -0.2830000    
 C   -1.002400       2.222900       1.281000    
 C   -2.729200     -0.6561000      -1.611800    
 C  -1.8200001E-02   1.776500     -0.8799000    
 C   -3.713400     -0.2096000      0.5490000    
 C  -0.5108000       3.527500       1.235400    
 C   -3.994500     -0.9280000      -2.132000    
 C   0.4734000       3.081200     -0.9253000    
 C   -4.978700     -0.4817000      2.8700000E-02
 C  -0.9674000      -2.343900      0.9342000    
 C   0.2270000       3.956600      0.1324000    
 C   -5.119200     -0.8409000      -1.311800    
 H    3.367900      -1.242700       1.719700    
 H    3.182200      0.4625000       1.250500    
 H    2.756700     -9.6000005E-03  -1.822300    
 H    3.792900       1.229100      -1.104800    
 H    4.766100      -2.437300      -1.557100    
 H    4.204400      -2.944700      3.9099999E-02
 H    3.035300      -2.462500      -1.198600    
 H    5.762800      -1.146500       1.097600    
 H    6.284400     -0.7294000     -0.5338000    
 H    5.649900      0.5285000      0.5398000    
 H    5.513900      0.4322000      -2.256500    
 H   -1.574400       1.899400       2.146100    
 H   -1.860300     -0.7288000      -2.259800    
 H   0.1817000       1.102900      -1.708300    
 H   -3.616600      6.8000004E-02   1.594700    
 H  -0.7019000       4.208900       2.059200    
 H   -4.104000      -1.208200      -3.175700    
 H    1.049300       3.414700      -1.783600    
 H   -5.854600     -0.4142000      0.6674000    
 H   0.6104000       4.972200      9.7300000E-02
 H   -6.104400      -1.053000      -1.716800    


%chk=000086388-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086388

0 1
O 1.674117 -0.859479 0.600196
O 4.271970 1.085160 -2.178876
O 1.129662 -1.536088 2.765986
N -1.859385 -3.499280 1.825124
C 3.958915 -0.501002 -0.237880
C 3.096704 -0.694726 1.024072
C 3.433225 0.738266 -1.022847
C 3.905057 -1.759909 -1.137313
C 5.413841 -0.247780 0.241614
C 0.780489 -1.234531 1.600672
C -1.217944 -0.280736 0.323550
C -0.629186 -1.297036 1.071658
C -0.574278 1.061062 0.221821
C -2.534682 -0.461856 -0.347120
C -0.034098 1.698110 1.374165
C -2.872024 -1.683116 -0.996589
C -0.525169 1.745635 -1.023573
C -3.479640 0.604079 -0.367073
C 0.553922 2.976486 1.278152
C -4.118665 -1.835876 -1.635686
C 0.078083 3.016733 -1.121206
C -4.731964 0.443845 -0.993991
C -1.324722 -2.491709 1.460414
C 0.618866 3.638311 0.029155
C -5.056562 -0.776765 -1.631461
H 3.399770 -1.592396 1.593727
H 3.145655 0.183002 1.698817
H 2.442648 0.521724 -1.450967
H 3.333512 1.605309 -0.332465
H 4.417474 -1.555843 -2.093887
H 4.398496 -2.621268 -0.649163
H 2.859992 -2.039172 -1.358339
H 5.755531 -1.053715 0.916799
H 6.108113 -0.233334 -0.618189
H 5.507384 0.712439 0.786487
H 5.134490 1.447495 -1.855006
H -0.107335 1.203645 2.349698
H -2.147085 -2.502872 -1.022596
H -0.941963 1.267980 -1.916764
H -3.234792 1.549639 0.128052
H 0.948629 3.460774 2.178090
H -4.357582 -2.779425 -2.137509
H 0.127415 3.521213 -2.091988
H -5.453866 1.267519 -0.984929
H 1.076506 4.630942 -0.045534
H -6.027824 -0.900153 -2.123103


