%chk=000115421.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115421

0 1
 O  -0.6853000       4.648500     -0.1140000    
 O   -1.990100       1.972700     -0.3454000    
 O    1.219100       5.704300      0.6577000    
 O   -4.995400      -3.335200       1.396600    
 N    1.154500       1.433800     -0.2904000    
 N    3.058400     -0.6888000     -0.1199000    
 C    2.364600       1.584600      0.5267000    
 C    1.445300      0.6014000      -1.464400    
 C    2.874200      0.2250000       1.011600    
 C    1.923100     -0.7909000      -1.045400    
 C   0.6472000       2.742100     -0.7023000    
 C  -0.2029000       3.398800      0.3879000    
 C    3.898800      -1.799600      1.4700000E-02
 C   -1.399600       2.551500      0.8143000    
 C    4.577300      -2.299800      -1.096600    
 C    4.057300      -2.407200       1.260300    
 C    5.414300      -3.407600     -0.9624000    
 C    4.894300      -3.515000       1.394600    
 C   0.1335000       5.719200      9.3300000E-02
 C    5.572700      -4.015100      0.2833000    
 C   -2.594200      0.7544000     -0.1854000    
 C  -0.4965000       6.951400     -0.4819000    
 C   -2.633300     -0.1494000      -1.247200    
 C   -3.172300      0.4181000       1.038700    
 C   -3.828700      -1.726100      0.1393000    
 C   -3.250500      -1.389600      -1.084700    
 C   -3.789500     -0.8221000       1.201000    
 C   -4.472800      -3.019000      0.3082000    
 C   -4.515800      -4.015000     -0.8644000    
 C   -5.207500      -5.325600     -0.5233000    
 H    3.158400       2.086400     -4.3600000E-02
 H    2.163000       2.199300       1.411000    
 H   0.5423000      0.4785000      -2.074400    
 H    2.206100       1.077600      -2.097500    
 H    3.823000      0.3866000       1.538600    
 H    2.157100     -0.2023000       1.724300    
 H    1.106800      -1.337700     -0.5554000    
 H    2.185300      -1.347800      -1.952300    
 H    1.464400       3.409900      -1.007900    
 H   2.8200001E-02   2.654100      -1.606400    
 H   0.3881000       3.582700       1.293800    
 H   -1.029500       1.778900       1.500900    
 H   -2.146700       3.170500       1.324200    
 H    4.478500      -1.832000      -2.072800    
 H    3.533700      -2.053900       2.144000    
 H    5.945100      -3.795400      -1.826900    
 H    5.015500      -3.990300       2.363600    
 H    6.224300      -4.877600      0.3877000    
 H   -1.452400       7.144100      1.1700000E-02
 H   0.1619000       7.808200     -0.3125000    
 H  -0.6367000       6.827800      -1.558700    
 H   -2.184400      0.1082000      -2.202600    
 H   -3.189600       1.103700       1.880700    
 H   -3.257300      -2.059900      -1.938200    
 H   -4.238500      -1.058300       2.162300    
 H   -3.487600      -4.238100      -1.169200    
 H   -5.050900      -3.547300      -1.698100    
 H   -5.207200      -5.994100      -1.389700    
 H   -6.246300      -5.153900     -0.2229000    
 H   -4.698800      -5.833800      0.3025000    


%chk=000115421-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000115421

0 1
O -0.881860 3.727117 -0.038711
O -1.915864 1.047924 -0.427817
O 0.922127 5.018495 0.691118
O -6.415693 -3.345640 1.070064
N 1.779562 1.078620 -0.319540
N 4.227395 -0.427192 0.026840
C 3.002797 1.724171 0.218449
C 2.157195 0.023968 -1.290644
C 3.901914 0.697014 0.926789
C 3.027573 -1.036087 -0.594691
C 0.788697 2.054358 -0.824672
C -0.123824 2.497173 0.342776
C 5.357119 -1.238980 0.313278
C -1.137773 1.442094 0.760286
C 5.772033 -2.265134 -0.591315
C 6.145055 -1.037401 1.487748
C 6.918035 -3.041327 -0.331679
C 7.297353 -1.815159 1.731297
C -0.218700 4.944536 0.177856
C 7.697707 -2.825562 0.829824
C -2.936305 0.110436 -0.262044
C -1.064536 6.101497 -0.301982
C -3.692308 -0.177226 -1.428156
C -3.239077 -0.542199 0.963202
C -5.061943 -1.774302 -0.151511
C -4.741022 -1.108032 -1.369579
C -4.292417 -1.473014 1.003670
C -6.173621 -2.773380 -0.035655
C -7.013648 -3.086342 -1.281564
C -8.113905 -4.129440 -1.023879
H 3.586226 2.208838 -0.603744
H 2.719208 2.516112 0.934718
H 1.238051 -0.457016 -1.672267
H 2.721022 0.446382 -2.159519
H 4.836337 1.207144 1.217514
H 3.396038 0.342590 1.855697
H 2.411022 -1.546897 0.180765
H 3.329521 -1.792561 -1.334897
H 1.270796 2.956184 -1.265839
H 0.167459 1.584325 -1.605540
H 0.505221 2.745256 1.218880
H -0.580870 0.567919 1.151670
H -1.816853 1.844114 1.536488
H 5.217385 -2.440342 -1.518709
H 5.853093 -0.289291 2.230044
H 7.211052 -3.814464 -1.051804
H 7.877385 -1.634487 2.644086
H 8.589519 -3.429972 1.024870
H -2.128751 5.927481 -0.077395
H -0.717962 7.034285 0.166777
H -0.966658 6.199770 -1.398541
H -3.440490 0.344430 -2.356368
H -2.666261 -0.335222 1.871598
H -5.313812 -1.313259 -2.279644
H -4.546210 -1.990838 1.934941
H -6.333224 -3.431991 -2.086961
H -7.456759 -2.138631 -1.651433
H -8.693142 -4.318834 -1.945416
H -8.805297 -3.785774 -0.235797
H -7.679110 -5.082334 -0.677233


