%chk=000115425.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115425

0 1
 O   -2.578400     -0.9291000      -1.985600    
 O  -4.8200000E-02   4.608000     -0.1868000    
 N   0.8037000      -1.597500      0.5470000    
 C  -0.2571000      -1.029000     -0.2944000    
 C   -1.625100      -1.602000      0.1309000    
 C  -0.2011000      0.4893000     -0.2653000    
 C    2.109700      -1.168400      7.8299999E-02
 C    3.223600      -1.760000      0.9429000    
 C   -2.792900      -1.188700     -0.7862000    
 C  -0.4244000       1.144200      0.9298000    
 C   7.1599998E-02   1.171100      -1.434600    
 C    4.584600      -1.304100      0.4804000    
 C   -4.143400      -1.127600     -0.2507000    
 C  -0.3728000       2.537900      0.9566000    
 C   0.1233000       2.564700      -1.407900    
 C  -9.8999999E-02   3.248200     -0.2123000    
 C    5.266700      -2.050900     -0.4683000    
 C    5.131400     -0.1454000       1.010900    
 C   -4.519300      -1.974800      0.7919000    
 C   -5.063100     -0.2216000     -0.7790000    
 C    6.525600      -1.629100     -0.8964000    
 C    6.390100      0.2763000      0.5827000    
 C    7.087200     -0.4656000     -0.3711000    
 C   -5.814700      -1.916100       1.305900    
 C   -6.358500     -0.1629000     -0.2649000    
 C   -6.734200      -1.010200      0.7776000    
 C  -0.2851000       5.243200       1.068800    
 H  -8.4200002E-02  -1.371200      -1.324900    
 H   -1.855600      -1.298800       1.159100    
 H   -1.586400      -2.699000      0.1076000    
 H   0.7483000      -2.615400      0.5289000    
 H    2.259900      -1.477000     -0.9646000    
 H    2.219100     -7.8900002E-02  0.1151000    
 H    3.179800      -2.857200      0.9238000    
 H    3.081300      -1.475100       1.994000    
 H  -0.6328000      0.6059000       1.849400    
 H   0.2468000      0.6502000      -2.371000    
 H  -0.5535000       3.004900       1.918700    
 H   0.3373000       3.112600      -2.321500    
 H    4.836800      -2.957200     -0.8851000    
 H    4.595400      0.4403000       1.752300    
 H   -3.829900      -2.700600       1.213900    
 H   -4.787400      0.4499000      -1.588000    
 H    7.068100      -2.206300      -1.639400    
 H    6.827200       1.182800      0.9912000    
 H    8.067000     -0.1370000     -0.7047000    
 H   -6.108600      -2.578000       2.115300    
 H   -7.074300      0.5432000     -0.6754000    
 H   -7.742900     -0.9648000       1.177500    
 H   0.4797000       4.975500       1.805700    
 H  -0.2067000       6.323000      0.9047000    
 H   -1.299300       5.048100       1.433400    


%chk=000115425-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115425

0 1
O -2.589605 -0.744056 -2.046767
O -0.295562 5.046928 0.107596
N 0.784372 -1.348306 0.456866
C -0.290390 -0.715490 -0.354706
C -1.648985 -1.280938 0.139160
C -0.250389 0.812135 -0.214277
C 2.162151 -1.104017 -0.025414
C 3.195501 -1.735482 0.940767
C -2.807593 -1.062125 -0.839586
C 0.051961 1.413706 1.029432
C -0.555501 1.652888 -1.315792
C 4.628271 -1.484434 0.494103
C -4.215697 -1.274822 -0.355067
C 0.051520 2.817932 1.187592
C -0.563042 3.053490 -1.177236
C -0.261099 3.640792 0.076413
C 5.370406 -2.482982 -0.186586
C 5.242669 -0.224554 0.720483
C -4.517509 -1.721201 0.960195
C -5.282467 -1.029019 -1.262830
C 6.689237 -2.232998 -0.630922
C 6.559783 0.030846 0.279140
C 7.288984 -0.973880 -0.399608
C -5.857563 -1.918581 1.356834
C -6.619558 -1.220224 -0.864926
C -6.911094 -1.666601 0.447365
C 0.001039 5.699086 1.383288
H -0.198815 -0.960935 -1.438467
H -1.883615 -0.850402 1.129394
H -1.562838 -2.381124 0.288987
H 0.610871 -2.356884 0.577369
H 2.334737 -1.494850 -1.058206
H 2.322171 -0.011202 -0.070205
H 3.007798 -2.826298 1.007790
H 3.014693 -1.313474 1.947511
H 0.311372 0.761884 1.872077
H -0.805760 1.200019 -2.281460
H 0.294555 3.252391 2.162485
H -0.798857 3.709504 -2.020785
H 4.912388 -3.463784 -0.367097
H 4.684234 0.558389 1.249402
H -3.713810 -1.919606 1.676587
H -5.029899 -0.688558 -2.272537
H 7.247804 -3.018133 -1.153539
H 7.018371 1.008777 0.465721
H 8.311710 -0.778228 -0.741192
H -6.081742 -2.264969 2.371623
H -7.434583 -1.023816 -1.570000
H -7.951143 -1.816275 0.758368
H 1.028902 5.468552 1.726535
H -0.088801 6.777171 1.183457
H -0.724285 5.403558 2.166869


