%chk=000039472.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039472

0 1
 O    3.848400       2.471900       2.062900    
 N  -0.9643000      0.7637000     -0.7116000    
 C   0.9274000     -0.1272000     -0.9385000    
 C  -0.1822000     -0.1826000      0.1211000    
 C  -0.1991000      0.2943000      -1.892500    
 C    1.567000      -1.471300      -1.263400    
 C    2.069300      0.8802000     -0.7094000    
 C   -2.352100      0.3315000     -0.8017000    
 C    2.425900      -1.945000     -9.1899998E-02
 C   -3.119500      0.6844000      0.4730000    
 C    3.049000      -3.312500     -0.3736000    
 C    2.445600       1.224500      0.5889000    
 C    2.727700       1.447900      -1.800100    
 C    3.934700      -3.769600      0.7853000    
 C    3.480500       2.136300      0.7963000    
 C    3.762600       2.359800      -1.592700    
 C   -4.553100      0.2223000      0.4018000    
 C    4.138900       2.703900     -0.2945000    
 C    4.582600      -5.113800      0.4948000    
 C   -5.533700       1.068500     -0.1157000    
 C   -4.898700      -1.051500      0.8534000    
 C   -6.859900      0.6411000     -0.1816000    
 C   -6.224800      -1.478800      0.7875000    
 C    3.133300       1.854300       3.132200    
 C   -7.205500     -0.6326000      0.2700000    
 H   5.9000002E-03  0.1861000       1.131800    
 H  -0.6259000      -1.182600      0.2405000    
 H  -0.6516000     -0.5356000      -2.453500    
 H   2.5599999E-02   1.087100      -2.613200    
 H   0.7931000      -2.223500      -1.465000    
 H    2.173400      -1.409100      -2.176200    
 H   -2.446700     -0.7435000      -1.011400    
 H   -2.823400      0.8470000      -1.649300    
 H    1.826900      -1.999300      0.8249000    
 H    3.252100      -1.254300      0.1016000    
 H   -3.093100       1.768700      0.6451000    
 H   -2.645700      0.2321000       1.353800    
 H    2.256100      -4.050900     -0.5439000    
 H    3.645900      -3.261300      -1.292600    
 H    1.943500      0.7403000       1.414700    
 H    2.452300       1.184700      -2.817600    
 H    4.719600      -3.027200      0.9710000    
 H    3.337900      -3.846900       1.701600    
 H    4.276600       2.800400      -2.441900    
 H    4.946200       3.414400     -0.1391000    
 H    3.825300      -5.887700      0.3342000    
 H    5.210100      -5.422000       1.337000    
 H    5.214300      -5.060300     -0.3976000    
 H   -5.276500       2.062400     -0.4723000    
 H   -4.143200      -1.720700       1.256600    
 H   -7.623400       1.299800     -0.5850000    
 H   -6.493800      -2.470700       1.138500    
 H    3.551300       2.243600       4.066300    
 H    3.284700      0.7695000       3.144100    
 H    2.072700       2.127900       3.120100    
 H   -8.238000     -0.9655000      0.2184000    


%chk=000039472-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039472

0 1
O 3.961364 2.826703 2.026283
N -1.039169 0.569124 -0.684569
C 1.009745 -0.129555 -0.856045
C -0.130048 -0.205999 0.229925
C -0.134985 0.303359 -1.857473
C 1.669930 -1.495069 -1.191801
C 2.075399 0.951098 -0.651217
C -2.452074 0.173930 -0.779058
C 2.532682 -2.081224 -0.051778
C -3.230811 0.569912 0.503030
C 3.149687 -3.451377 -0.411922
C 2.474737 1.378848 0.640032
C 2.735243 1.490202 -1.784360
C 4.004174 -4.051271 0.727959
C 3.504939 2.339664 0.788218
C 3.765722 2.445695 -1.628091
C -4.700485 0.189381 0.418000
C 4.157520 2.878366 -0.346922
C 4.632512 -5.412464 0.358816
C -5.664134 1.117280 -0.055225
C -5.136267 -1.115920 0.765959
C -7.024302 0.753590 -0.178810
C -6.494879 -1.485361 0.644424
C 3.310012 2.324114 3.236338
C -7.444815 -0.550930 0.170062
H 0.037213 0.267409 1.212709
H -0.464281 -1.259244 0.389986
H -0.471830 -0.548882 -2.493207
H 0.052514 1.186511 -2.492190
H 0.871744 -2.220701 -1.451175
H 2.297759 -1.375413 -2.098639
H -2.571387 -0.928347 -0.953573
H -2.898450 0.689699 -1.651160
H 1.910333 -2.191063 0.862034
H 3.341813 -1.369014 0.202880
H -3.110561 1.659233 0.646829
H -2.755746 0.071595 1.370969
H 2.341746 -4.165534 -0.677724
H 3.778368 -3.341861 -1.320476
H 1.978061 0.963281 1.521348
H 2.443445 1.166767 -2.790356
H 4.805187 -3.332979 0.997278
H 3.373415 -4.166973 1.633340
H 4.265846 2.858741 -2.511336
H 4.948773 3.619813 -0.201655
H 3.851224 -6.156586 0.112995
H 5.237074 -5.819537 1.190162
H 5.292703 -5.316850 -0.523912
H -5.344673 2.132348 -0.323057
H -4.405960 -1.843659 1.142501
H -7.754693 1.485901 -0.541809
H -6.813578 -2.496718 0.922310
H 3.807901 2.844027 4.068133
H 3.447788 1.230195 3.346474
H 2.228214 2.562470 3.242014
H -8.499459 -0.834125 0.078131


