%chk=000010517.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000010517

0 1
 O   -1.250500      -1.843100      0.2445000    
 O   -1.091900      -3.876800     -0.8398000    
 N    2.996100      0.1862000     -0.8795000    
 C  -6.4000003E-02  0.2905000     -0.2709000    
 C   0.7046000      0.9551000      -1.490500    
 C  -0.5390000      -1.148700     -0.7866000    
 C    2.030100      0.3105000      -1.973300    
 C   -1.287600       1.209000      4.0600002E-02
 C   0.8359000      4.9800001E-02  0.9790000    
 C   -1.390900      -1.170800      -2.075800    
 C    2.663900       1.162000      -3.077700    
 C   -2.167400      0.7824000      0.9878000    
 C   0.8911000       1.038200       1.915200    
 C   -1.391200       2.374100     -0.6557000    
 C    1.507800      -1.133100       1.053500    
 C   -2.671200     -0.3535000      -1.928700    
 C    3.337000       1.504900     -0.3489000    
 C    4.197800     -0.5085000      -1.337900    
 C   -3.260400       1.602900       1.266400    
 C    1.696200      0.8229000       3.033800    
 C   -2.484300       3.194800     -0.3769000    
 C    2.312600      -1.348400       2.172200    
 C   -1.652000      -3.106600     -7.1400002E-02
 C   -3.418800       2.809000      0.5841000    
 C    2.406800     -0.3703000       3.162400    
 C   -2.910500      -3.432600      0.6744000    
 H   5.5100001E-02   1.031900      -2.371700    
 H   0.9721000       1.985300      -1.234300    
 H   0.3243000      -1.753500      -1.077100    
 H    1.802100     -0.6801000      -2.383700    
 H   -1.680900      -2.185000      -2.364400    
 H  -0.8205000     -0.7976000      -2.932500    
 H    1.962000       1.211300      -3.921000    
 H    2.845300       2.203300      -2.795100    
 H    3.579500      0.7381000      -3.498300    
 H   -2.051900     -0.1230000       1.568500    
 H   0.3798000       1.989600       1.830700    
 H  -0.7463000       2.765200      -1.426800    
 H    1.520200      -1.931900      0.3287000    
 H   -3.206500     -0.5376000     -0.9968000    
 H   -3.361000     -0.6801000      -2.719100    
 H   -2.528000      0.7038000      -2.137000    
 H    3.956600       2.106600      -1.023200    
 H    2.502700       2.122400     -1.6400000E-02
 H    3.948000       1.361100      0.5521000    
 H    4.797900     -0.7949000     -0.4658000    
 H    3.947900      -1.443500      -1.852100    
 H    4.850600      8.8900000E-02  -1.982600    
 H   -3.982800       1.307700       2.021800    
 H    1.776700       1.587900       3.800700    
 H   -2.611800       4.132900     -0.9096000    
 H    2.872900      -2.273800       2.269900    
 H   -4.269000       3.448600      0.8022000    
 H    3.036700     -0.5363000       4.031300    
 H   -3.219400      -4.454200      0.4352000    
 H   -2.731100      -3.366700       1.750500    
 H   -3.707600      -2.748000      0.3744000    


%chk=000010517-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000010517

0 1
O -1.311410 -1.681986 -0.072737
O -0.200037 -3.618142 -0.763926
N 2.879542 -0.245388 -1.174592
C -0.115572 0.501465 -0.331544
C 0.836514 1.280206 -1.322532
C -0.491175 -0.854237 -1.023589
C 1.973273 0.520832 -2.067268
C -1.382252 1.357943 -0.015729
C 0.642101 0.267532 1.013072
C -1.254003 -0.806271 -2.373356
C 2.706810 1.524277 -3.009134
C -2.299404 0.890973 0.967866
C 0.782785 1.364526 1.904403
C -1.664968 2.604623 -0.630944
C 1.239588 -0.963178 1.385107
C -2.766881 -0.493054 -2.321653
C 3.750840 0.556801 -0.297110
C 3.608299 -1.335503 -1.848679
C -3.463962 1.615833 1.290445
C 1.487922 1.243470 3.122057
C -2.830445 3.339636 -0.306345
C 1.935751 -1.093731 2.607779
C -1.061953 -3.055028 -0.047804
C -3.742658 2.846468 0.649946
C 2.065864 0.006432 3.485708
C -1.947408 -3.732189 0.975653
H 0.220423 1.715978 -2.131100
H 1.265917 2.138650 -0.769802
H 0.449394 -1.411204 -1.183935
H 1.498666 -0.239052 -2.720387
H -1.115478 -1.800351 -2.841991
H -0.750449 -0.080377 -3.039779
H 2.008865 1.950544 -3.753745
H 3.143457 2.363141 -2.436438
H 3.522519 1.023014 -3.561540
H -2.091171 -0.052739 1.478352
H 0.319086 2.325175 1.650925
H -0.982735 3.032007 -1.371006
H 1.201867 -1.826170 0.716208
H -3.282534 -1.164347 -1.613633
H -3.211125 -0.644433 -3.322950
H -2.971492 0.542833 -2.008485
H 4.579413 1.075927 -0.838267
H 3.159210 1.313016 0.245451
H 4.203575 -0.105378 0.463120
H 4.103052 -1.967690 -1.088287
H 2.899611 -1.974043 -2.407016
H 4.399303 -0.989383 -2.561140
H -4.153279 1.223046 2.046907
H 1.576336 2.110861 3.786440
H -3.018624 4.299232 -0.801943
H 2.384013 -2.059475 2.869418
H -4.646644 3.413008 0.900536
H 2.606726 -0.098565 4.433159
H -1.928899 -4.821195 0.823596
H -1.572475 -3.504313 1.990473
H -2.979889 -3.351725 0.910564


