%chk=000057905.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057905

0 1
 O   0.2421000      -3.914200      0.2750000    
 O    5.538100       1.388600      0.2549000    
 N  -0.5364000      -1.746900     -0.4528000    
 N  -0.7645000       2.598500      0.2386000    
 N   -2.609700      -2.297300      0.4343000    
 N   -1.154200      -1.201400       1.787500    
 C   0.4004000      -2.868600     -0.6972000    
 C  -0.5451000     -0.6526000      -1.419700    
 C  -0.9110000      0.6595000     -0.7784000    
 C    1.867700      -2.389200     -0.6373000    
 C   -1.385900      -1.723100      0.6065000    
 C   -2.219800       1.161900     -0.6533000    
 C  -3.1800002E-02   1.542000     -0.2320000    
 C   9.3400002E-02  -3.499700      -2.062500    
 C   -2.103900       2.393400     -4.9999999E-03
 C   -3.387400      -2.190500       1.631000    
 C    2.886000      -3.506900     -0.8427000    
 C   -2.410800      -1.453200       2.556200    
 C    1.406500       1.502600     -0.1062000    
 C   -3.501800      0.7068000      -1.020400    
 C   -3.210400       3.195600      0.2958000    
 C   -4.617600       1.498900     -0.7261000    
 C   -4.471800       2.723700     -7.7900000E-02
 C    2.207700       2.037000      -1.113900    
 C    1.990600      0.9300000       1.022600    
 C    3.596800       1.998600     -0.9925000    
 C    3.379600      0.8918000       1.144000    
 C    4.182700       1.426000      0.1364000    
 C    6.070500      0.7887000       1.434900    
 H   -1.278600     -0.8867000      -2.201900    
 H   0.4089000     -0.5397000      -1.942200    
 H    2.054000      -1.956300      0.3529000    
 H    2.077100      -1.606000      -1.371600    
 H  -0.9741000      -3.739200      -2.140600    
 H   0.3491000      -2.836300      -2.894900    
 H   0.6232000      -4.448800      -2.197900    
 H  -0.3829000       3.413600      0.6990000    
 H   -2.943300      -2.731100     -0.4174000    
 H   -3.650600      -3.175400       2.027200    
 H   -4.299600      -1.610100       1.465500    
 H    2.837600      -3.915800      -1.856000    
 H    2.744100      -4.323000     -0.1280000    
 H    3.898100      -3.113900     -0.6984000    
 H   -2.181200      -2.053400       3.442900    
 H   -2.831300     -0.4979000       2.887800    
 H   0.4520000      -3.535000       1.145400    
 H   -3.635600     -0.2429000      -1.529900    
 H   -3.097700       4.149300      0.8004000    
 H   -5.608800       1.153100      -1.007500    
 H   -5.352000       3.322700      0.1411000    
 H    1.766300       2.485900      -2.000500    
 H    1.378100      0.5097000       1.816500    
 H    4.217300       2.415900      -1.780800    
 H    3.768200      0.4318000       2.046100    
 H    5.809100     -0.2731000       1.499400    
 H    7.161600      0.8453000       1.362300    
 H    5.780700       1.343000       2.334100    


%chk=000057905-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057905

0 1
O -0.226547 -4.334600 -0.166235
O 5.282539 2.041587 0.896941
N -0.534295 -1.907328 -0.365101
N -1.088812 2.792488 -0.259467
N -1.955108 -1.006658 1.425996
N -0.666979 -2.865880 1.814885
C 0.253232 -3.162247 -0.843539
C -0.608625 -0.768807 -1.334960
C -1.073961 0.587605 -0.862045
C 1.761723 -2.914070 -0.520562
C -1.018997 -1.912372 0.926518
C -2.416161 1.117757 -1.049553
C -0.277228 1.646728 -0.378227
C -0.016712 -3.412602 -2.339874
C -2.397796 2.501889 -0.654691
C -2.149601 -1.250000 2.870984
C 2.674228 -4.080595 -0.950521
C -1.515767 -2.676274 3.024824
C 1.152866 1.714047 -0.045517
C -3.634060 0.552505 -1.516926
C -3.546337 3.320757 -0.703987
C -4.782242 1.365714 -1.574584
C -4.740478 2.733739 -1.171179
C 1.898192 2.913624 -0.257605
C 1.833630 0.597375 0.505983
C 3.260593 2.990960 0.068502
C 3.205345 0.657261 0.827026
C 3.923985 1.859902 0.612239
C 6.022225 0.896886 1.439138
H -1.262656 -1.072327 -2.175086
H 0.410093 -0.649147 -1.755785
H 1.829890 -2.776628 0.576353
H 2.100367 -1.972651 -0.999047
H -1.103617 -3.478983 -2.515612
H 0.423891 -2.646041 -3.000379
H 0.423172 -4.389543 -2.594843
H -0.775970 3.668997 0.153386
H -2.231378 -0.149733 0.951085
H -3.219540 -1.229766 3.142323
H -1.615033 -0.494994 3.484411
H 2.753223 -4.160148 -2.050198
H 2.270531 -5.032723 -0.563711
H 3.697188 -3.946837 -0.551975
H -2.304154 -3.455556 3.063107
H -0.909430 -2.762329 3.943118
H -0.334945 -4.036516 0.845292
H -3.682433 -0.499622 -1.819037
H -3.517681 4.372717 -0.399019
H -5.728108 0.943949 -1.931658
H -5.652638 3.338022 -1.226295
H 1.416711 3.782842 -0.722042
H 1.281401 -0.324441 0.710146
H 3.837545 3.904831 -0.101767
H 3.690567 -0.226939 1.250599
H 6.005514 0.040472 0.737965
H 7.054018 1.255892 1.563558
H 5.614320 0.583513 2.419453


