%chk=000039552.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039552

0 1
 O   0.8977000     -0.5310000      -2.137100    
 O    1.917000       2.442900       1.310500    
 N    1.461200       1.066200     -0.5312000    
 N   -3.900200      0.5239000     -5.2299999E-02
 C    2.710300      -1.026200      0.9346000    
 C    2.709600      -1.088200     -0.6160000    
 C    3.194200      0.4273000       1.096300    
 C    4.056200     -0.4331000      -1.012900    
 C    4.371500      0.5565000      0.1172000    
 C    1.593400     -0.1808000      -1.182200    
 C    3.718500      -2.001700       1.590100    
 C    1.346600      -1.307700       1.593700    
 C    2.127300       1.420400      0.6581000    
 C    2.587600      -2.496700      -1.201300    
 C   0.5746000       2.054100      -1.131800    
 C  -0.7768000       1.941700     -0.5856000    
 C   -3.139600     -0.6596000      0.3727000    
 C   -5.285400      0.4686000      0.4357000    
 C   -3.786300      -1.945800     -0.1438000    
 C   -6.002400     -0.7807000     -7.8900002E-02
 C   -5.243000      -2.048700      0.2941000    
 C   -3.243700       1.746700      0.4092000    
 C   -1.888300       1.851700     -0.1390000    
 H    3.492200      0.6624000       2.123800    
 H    3.999300      8.3999999E-02  -1.977900    
 H    4.862100      -1.172400      -1.090700    
 H    5.313000      0.2792000      0.6047000    
 H    4.493200       1.574300     -0.2701000    
 H    3.380100      -3.040100       1.500100    
 H    4.718800      -1.949200       1.151200    
 H    3.822600      -1.785100       2.659900    
 H    1.047200      -2.350600       1.440400    
 H    1.399300      -1.133500       2.674700    
 H   0.5327000     -0.6864000       1.211200    
 H    3.401800      -3.150100     -0.8726000    
 H    1.639900      -2.964100     -0.9129000    
 H    2.619800      -2.473200      -2.296900    
 H   0.5530000       1.915900      -2.218500    
 H   0.9713000       3.057500     -0.9399000    
 H   -3.063700     -0.7028000       1.467600    
 H   -2.117800     -0.6487000     -2.2700001E-02
 H   -5.838900       1.347700      8.3899997E-02
 H   -5.314200      0.4828000       1.533300    
 H   -3.228700      -2.814500      0.2242000    
 H   -3.731100      -1.971000      -1.239600    
 H   -6.103600     -0.7229000      -1.170200    
 H   -7.016500     -0.8222000      0.3343000    
 H   -5.715200      -2.921000     -0.1711000    
 H   -5.289300      -2.197200       1.379900    
 H   -3.816800       2.620700      7.5800002E-02
 H   -3.204700       1.787100       1.505300    


%chk=000039552-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039552

0 1
O 0.755201 -0.674269 -1.797584
O 2.408595 2.834500 0.785019
N 1.596817 1.095030 -0.548915
N -4.038645 0.374837 0.110369
C 3.012091 -0.760528 1.098837
C 2.749292 -1.152187 -0.410859
C 3.587253 0.677840 0.878684
C 4.073084 -0.687103 -1.132022
C 4.626319 0.499363 -0.283094
C 1.615337 -0.265121 -0.972300
C 4.087342 -1.664638 1.753650
C 1.747667 -0.800808 1.992448
C 2.500573 1.635114 0.409260
C 2.415344 -2.628859 -0.671657
C 0.496230 1.968716 -1.058257
C -0.779440 1.752545 -0.355087
C -3.418297 -0.956605 -0.117739
C -5.361560 0.261718 0.775003
C -4.330033 -1.839681 -0.991897
C -6.330709 -0.587389 -0.072135
C -5.731376 -1.983818 -0.355900
C -3.148423 1.294627 0.868567
C -1.865142 1.554384 0.193904
H 4.036017 1.114383 1.785741
H 3.879955 -0.404313 -2.181557
H 4.783836 -1.532422 -1.154395
H 5.616780 0.261260 0.141347
H 4.741335 1.427034 -0.869358
H 3.695147 -2.683793 1.919247
H 5.007009 -1.750710 1.149911
H 4.368386 -1.253849 2.741401
H 1.370530 -1.836381 2.076641
H 1.991253 -0.451903 3.012988
H 0.922344 -0.173013 1.613094
H 3.249998 -3.275208 -0.349035
H 1.499331 -2.938798 -0.138281
H 2.233816 -2.798198 -1.746060
H 0.366028 1.746103 -2.131531
H 0.839864 3.009948 -0.930841
H -3.224662 -1.477714 0.859901
H -2.442545 -0.803688 -0.612157
H -5.771843 1.280599 0.913915
H -5.265766 -0.201545 1.795344
H -3.856719 -2.831072 -1.127351
H -4.420828 -1.372728 -1.991363
H -6.515685 -0.063570 -1.029777
H -7.299593 -0.675528 0.456515
H -6.401780 -2.565333 -1.016857
H -5.646458 -2.547876 0.596679
H -3.688097 2.252848 1.005206
H -2.929372 0.904197 1.899636


