%chk=000027088.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027088

0 1
 O  -0.8682000       1.374700     -0.4089000    
 O   -2.449400       3.017700     -9.3099996E-02
 N    3.170400      0.1514000      1.1300000E-02
 N   -5.759000      -2.455400      0.6282000    
 C    2.982000      -1.021800     -0.8421000    
 C    3.834200     -0.2257000       1.258500    
 C    1.885800      0.7922000      0.2891000    
 C    1.755100      -1.838900     -0.4072000    
 C    5.165500     -0.9448000      0.9885000    
 C    1.460600       1.659600     -0.8913000    
 C    2.828200     -0.5577000      -2.289900    
 C    4.067500       1.033500       2.092100    
 C    1.524000      -3.088000      -1.248200    
 C    6.175800     -9.4400004E-02  0.2291000    
 C   0.1348000       2.358400     -0.6222000    
 C   -2.121500       1.843000     -0.1533000    
 C   -3.071700      0.7206000      5.1300000E-02
 C   -4.416000      0.8742000     -0.2876000    
 C   -2.620000     -0.4877000      0.5820000    
 C   -5.308600     -0.1802000     -9.5700003E-02
 C   -3.512500      -1.542200      0.7741000    
 C   -4.856800      -1.388500      0.4352000    
 H    3.846300      -1.683000     -0.8811000    
 H    3.212200     -0.9048000       1.856000    
 H    1.096900      0.1598000      0.7031000    
 H    1.997600       1.542900       1.077400    
 H    1.840700      -2.153000      0.6388000    
 H   0.8178000      -1.284600     -0.5224000    
 H    5.617200      -1.174300       1.964700    
 H    5.060000      -1.931400      0.5303000    
 H    2.228100       2.409200      -1.117800    
 H    1.265300       1.091000      -1.791400    
 H    3.339600      0.3896000      -2.496100    
 H    3.320300      -1.289900      -2.945500    
 H    1.795200     -0.5258000      -2.646700    
 H    4.385900       1.890600       1.487200    
 H    4.850800      0.8617000       2.840700    
 H    3.181700       1.320900       2.668700    
 H    1.299700      -2.844700      -2.290900    
 H    2.403900      -3.738900      -1.227500    
 H   0.6759000      -3.656500     -0.8520000    
 H    5.813800      0.1725000     -0.7682000    
 H    6.426000      0.8250000      0.7662000    
 H    7.106800     -0.6569000      0.1005000    
 H  -0.1360000       2.976100      -1.486600    
 H   0.2172000       3.002600      0.2613000    
 H   -4.782900       1.808200     -0.7050000    
 H   -1.580700     -0.6316000      0.8655000    
 H   -6.353700     -4.8500001E-02 -0.3646000    
 H   -3.148800      -2.478100       1.190600    
 H   -5.432200      -3.330900       1.014700    
 H   -6.734100      -2.344000      0.3844000    


%chk=000027088-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000027088

0 1
O -0.990874 1.131689 -0.643736
O -2.309111 3.031328 -0.327688
N 3.181895 -0.146628 -0.009130
N -6.424109 -1.806442 1.117005
C 3.273142 -1.373822 -0.878346
C 3.964341 -0.318272 1.266923
C 1.848117 0.496336 0.089115
C 2.043585 -2.323358 -0.756196
C 5.491879 -0.167345 0.976924
C 1.368434 1.143097 -1.232133
C 3.630277 -1.032743 -2.348023
C 3.543989 0.629633 2.411732
C 2.262919 -3.698619 -1.425328
C 5.912158 1.245248 0.520351
C 0.136815 2.027163 -1.034760
C -2.194141 1.776438 -0.309770
C -3.261557 0.818409 0.053259
C -4.531942 1.330159 0.434923
C -3.069772 -0.590265 0.034486
C -5.580262 0.469519 0.788068
C -4.112344 -1.461333 0.384566
C -5.388317 -0.946196 0.768674
H 4.134647 -1.949985 -0.483444
H 3.814168 -1.358938 1.654756
H 1.048517 -0.186806 0.459950
H 1.924415 1.311400 0.827555
H 1.826055 -2.476501 0.321000
H 1.146316 -1.843501 -1.194516
H 6.048681 -0.456140 1.892489
H 5.783073 -0.896060 0.195174
H 2.188536 1.767098 -1.638347
H 1.130994 0.377658 -1.992631
H 4.444551 -0.287647 -2.362037
H 3.972425 -1.932612 -2.892162
H 2.772981 -0.611192 -2.901151
H 3.616771 1.692920 2.121874
H 4.224765 0.470774 3.268189
H 2.515849 0.432683 2.762303
H 2.373108 -3.606448 -2.520693
H 3.174550 -4.190374 -1.034542
H 1.408640 -4.373638 -1.231920
H 5.281947 1.563072 -0.329919
H 5.801173 1.990356 1.329148
H 6.969620 1.259144 0.197879
H -0.148311 2.557725 -1.961998
H 0.279807 2.781851 -0.238384
H -4.671801 2.416401 0.446122
H -2.094467 -0.988241 -0.260277
H -6.554034 0.880415 1.081045
H -3.951166 -2.546141 0.364729
H -6.292486 -2.813833 1.104540
H -7.333745 -1.444235 1.388552


