%chk=000086805.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086805

0 1
 O   -3.208500       2.938000      -1.361900    
 O   -5.379200      -2.181000       1.470500    
 O    7.119600      -1.067400     -0.4208000    
 O   -5.618300      -1.979400      -1.927700    
 N  -0.3109000       1.302400      0.2746000    
 C    1.028500      0.9354000     -0.1942000    
 C    1.835000      0.3346000      0.9716000    
 C   -1.072300       1.929800     -0.7925000    
 C   -2.473900       2.318700     -0.3068000    
 C   0.8790000     -3.6400001E-02  -1.364900    
 C   -3.252200       1.110100      0.1652000    
 C    3.249200     -4.0500000E-02  0.5986000    
 C   -3.462500      5.7700001E-02 -0.7091000    
 C   -3.737200       1.083100       1.461300    
 C    3.510200      -1.314900      0.1214000    
 C    4.259800      0.8967000      0.7414000    
 C   -4.180100      -1.056300     -0.2736000    
 C   -4.454700     -3.0999999E-02   1.896700    
 C   -4.676200      -1.100600       1.029200    
 C    4.817000      -1.661300     -0.2222000    
 C    5.566500      0.5503000      0.3976000    
 C    5.845100     -0.7287000     -8.4200002E-02
 C   -4.406700      -2.192800      -1.214800    
 C    8.122800     -6.6399999E-02 -0.2552000    
 H    1.553900       1.832700     -0.5478000    
 H    1.321800     -0.5525000       1.369000    
 H    1.867500       1.046600       1.808100    
 H   -1.197500       1.299800      -1.676300    
 H  -0.5630000       2.837800      -1.141800    
 H  -0.2356000       1.940400       1.066400    
 H   -2.392000       3.057900      0.5000000    
 H    1.846400     -0.4239000      -1.694500    
 H   0.2500000     -0.8954000      -1.104500    
 H   0.4749000      0.4354000      -2.265300    
 H   -3.093700      9.2900001E-02  -1.730200    
 H   -3.570900       1.909600       2.146000    
 H    2.719600      -2.052400      1.7300000E-02
 H    4.050900       1.895600       1.113800    
 H   -2.697600       3.709900      -1.660000    
 H   -4.838400     -5.9500001E-02   2.913000    
 H    5.028100      -2.659600     -0.5954000    
 H    6.316500       1.322800      0.5287000    
 H   -4.436000      -3.164900     -0.7125000    
 H   -3.589100      -2.250300      -1.943400    
 H   -5.753500      -2.668600      0.7196000    
 H   -5.722100      -2.725100      -2.543200    
 H    8.235100      0.2206000      0.7959000    
 H    9.074400     -0.5073000     -0.5696000    
 H    7.940600      0.7971000     -0.9039000    


%chk=000086805-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086805

0 1
O -3.139683 2.743808 -1.438572
O -5.465958 -2.794404 0.708822
O 7.628679 -0.823177 0.232800
O -7.410886 -1.680586 -0.658204
N -0.062631 1.291370 0.153791
C 1.287532 0.784576 -0.215471
C 2.115208 0.663539 1.099533
C -0.962493 1.673289 -0.948484
C -2.404519 1.959525 -0.429530
C 1.186650 -0.567984 -0.949392
C -3.219532 0.701285 -0.148168
C 3.575466 0.303277 0.877794
C -4.395391 0.417675 -0.879902
C -2.809871 -0.208775 0.861279
C 4.056604 -1.010110 1.128397
C 4.499335 1.262229 0.395789
C -5.150870 -0.751308 -0.634899
C -3.563535 -1.366395 1.136912
C -4.738175 -1.640644 0.399992
C 5.402592 -1.354949 0.904884
C 5.856082 0.938956 0.163414
C 6.308256 -0.379392 0.419482
C -6.332360 -1.095480 -1.514719
C 8.603277 0.149319 -0.264113
H 1.823349 1.505972 -0.885255
H 1.620424 -0.089388 1.741606
H 2.049512 1.635647 1.633469
H -1.011376 0.854532 -1.685551
H -0.603834 2.586843 -1.497318
H 0.009575 2.048696 0.850236
H -2.314969 2.560352 0.506540
H 2.194324 -0.982985 -1.123826
H 0.602183 -1.282224 -0.341684
H 0.692170 -0.469290 -1.932036
H -4.711182 1.126705 -1.651380
H -1.887241 -0.010255 1.415637
H 3.364777 -1.772268 1.506632
H 4.159151 2.288010 0.203817
H -2.589382 3.526443 -1.694127
H -3.266432 -2.066564 1.923627
H 5.774856 -2.365296 1.100185
H 6.539399 1.710117 -0.205433
H -6.047138 -1.852083 -2.277993
H -6.708753 -0.190472 -2.026327
H -6.387198 -2.681917 0.309724
H -8.166255 -1.982941 -1.219865
H 8.719836 0.999211 0.436857
H 9.551253 -0.404049 -0.334875
H 8.319475 0.531261 -1.264499


