%chk=000031524.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031524

0 1
 O   -1.119400     -0.1907000      -1.908300    
 N    2.243500     -0.7546000      0.6565000    
 C    3.620700     -0.2439000      0.4296000    
 C    4.234800     -0.2036000       1.855000    
 C    4.382900      -1.303800     -0.4084000    
 C    3.802400       1.150300     -0.2233000    
 C    1.978900     -0.7836000       2.098000    
 C    3.333600      -1.085300       2.692800    
 C    4.039200      -1.265600      -1.895400    
 C    3.577100       1.214500      -1.735000    
 C    1.137500     -0.1546000     -6.5800004E-02
 C    4.315900      0.1123000      -2.483700    
 C  -0.2012000     -0.9051000      0.1858000    
 C   -1.426400     -0.1664000     -0.4984000    
 C  -5.3500000E-02  -2.362900     -0.3067000    
 C   -2.792900     -0.8448000     -0.2688000    
 C   -1.547400       1.304900     -5.4400001E-02
 C   -3.706200     -0.8199000      -1.289500    
 C   -1.257100       1.613700       1.248900    
 C   -3.024400      -1.437700      0.9444000    
 C   -1.939500       2.231800     -0.9847000    
 C   -4.941800      -1.433100      -1.082000    
 C   -1.366500       2.944900       1.650700    
 C   -4.260000      -2.050900       1.151900    
 C   -2.049000       3.563000     -0.5828000    
 C   -5.218700      -2.048600      0.1387000    
 C   -1.762500       3.919600      0.7349000    
 H    4.200700      0.8151000       2.263900    
 H    5.275200     -0.5416000       1.897100    
 H    4.195200      -2.314000     -2.1000000E-02
 H    5.464700      -1.141200     -0.3058000    
 H    4.834200       1.482800     -3.8500000E-02
 H    3.165300       1.893400      0.2722000    
 H    1.276000      -1.567900       2.393400    
 H    1.617200      0.1852000       2.465600    
 H    3.596100      -2.142000       2.562000    
 H    3.389000     -0.8430000       3.758000    
 H    2.991900      -1.542900      -2.055000    
 H    4.643100      -2.011600      -2.425100    
 H    3.929100       2.187100      -2.101300    
 H    2.513700       1.186800      -1.981600    
 H    1.059400      0.9067000      0.1812000    
 H    1.338700     -0.2333000      -1.135000    
 H    4.028900      0.1287000      -3.541200    
 H    5.394300      0.3114000      -2.446500    
 H  -0.3814000     -0.9616000       1.260100    
 H   0.7329000      -2.892700      0.2407000    
 H  -0.9720000      -2.938600     -0.1654000    
 H   0.2016000      -2.400100      -1.371300    
 H  -0.4301000      0.4676000      -2.098200    
 H   -3.519200     -0.3393000      -2.243700    
 H  -0.9741000      0.8840000       1.996800    
 H   -2.316900      -1.439800       1.763500    
 H   -2.184600       1.981500      -2.011200    
 H   -5.689600      -1.429100      -1.869800    
 H   -1.149800       3.221900       2.678300    
 H   -4.478300      -2.525200       2.104300    
 H   -2.361400       4.321500      -1.294600    
 H   -6.181400      -2.524300      0.3010000    
 H   -1.850000       4.955800       1.048400    


%chk=000031524-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031524

0 1
O -1.113769 0.584891 -1.845859
N 2.268977 -0.500714 0.681233
C 3.720085 -0.233398 0.291806
C 4.357666 0.235725 1.637814
C 4.390517 -1.570250 -0.166042
C 3.942976 0.860311 -0.799560
C 2.132140 -0.483178 2.166492
C 3.573408 -0.540131 2.716397
C 3.992314 -1.993164 -1.595116
C 3.727529 0.436531 -2.277796
C 1.152161 0.161370 -0.012880
C 4.414875 -0.907791 -2.610447
C -0.184105 -0.635710 0.111981
C -1.396983 0.210044 -0.434057
C -0.061076 -1.997683 -0.603129
C -2.675413 -0.652295 -0.480272
C -1.683281 1.502257 0.372478
C -3.219911 -1.085264 -1.712585
C -1.356759 1.653794 1.744247
C -3.308224 -1.044573 0.726211
C -2.362367 2.566540 -0.278393
C -4.377055 -1.897077 -1.737227
C -1.688960 2.836935 2.442090
C -4.459720 -1.860730 0.702154
C -2.693123 3.750084 0.415623
C -5.000660 -2.291708 -0.531944
C -2.356320 3.892589 1.781655
H 4.190962 1.324510 1.765379
H 5.445835 0.051501 1.668923
H 4.123663 -2.363254 0.556615
H 5.494526 -1.445504 -0.132498
H 4.999768 1.183211 -0.696607
H 3.327081 1.750245 -0.561118
H 1.513021 -1.325910 2.531072
H 1.639603 0.463764 2.503332
H 3.928805 -1.584225 2.782507
H 3.651468 -0.090184 3.721008
H 2.895858 -2.146730 -1.641153
H 4.465328 -2.962166 -1.847184
H 4.110733 1.239089 -2.938819
H 2.648906 0.337352 -2.507482
H 0.988156 1.203378 0.364959
H 1.393367 0.227172 -1.086081
H 4.162068 -1.214732 -3.643754
H 5.517600 -0.784225 -2.570697
H -0.381283 -0.833530 1.184260
H 0.882364 -2.479580 -0.292625
H -0.901115 -2.669042 -0.357589
H -0.044290 -1.858662 -1.699885
H -0.422283 1.293918 -1.836062
H -2.731543 -0.777393 -2.640413
H -0.836642 0.853598 2.281441
H -2.915538 -0.698728 1.689563
H -2.640095 2.448027 -1.331037
H -4.789352 -2.223096 -2.699247
H -1.424340 2.932875 3.501398
H -4.938882 -2.152791 1.643671
H -3.219915 4.557147 -0.106400
H -5.897002 -2.922027 -0.552322
H -2.613353 4.809788 2.323274


