%chk=000058030.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058030

0 1
 O   -1.343500     -0.4813000       1.018100    
 O  -0.1343000       1.302100     -0.2296000    
 O  -0.8927000       1.572000      -2.386200    
 N    3.460500       2.003500      0.2067000    
 N   -6.148100     -0.2305000      0.8453000    
 C   0.4037000      -2.597100      0.1142000    
 C    1.756000      -3.306400     -9.9999997E-05
 C  -8.3999999E-02  -2.447000       1.554300    
 C    2.100700       1.640300      0.5768000    
 C    2.255600      -3.434600      -1.439600    
 C   -1.445200      -1.766700       1.615100    
 C    4.138800      0.8790000     -0.4426000    
 C    4.218500       2.440400       1.381700    
 C    1.184900       1.681900     -0.6360000    
 C    3.563700      -4.208300      -1.505400    
 C    5.535800       1.268100     -0.8957000    
 C    4.354700       1.317500       2.395900    
 C   -2.475100      1.7200001E-02  0.4265000    
 C   -2.390000      0.8844000     -0.6627000    
 C   -1.096900       1.283800      -1.200600    
 C   -3.723100     -0.3532000      0.9272000    
 C   -3.552900       1.381100      -1.251300    
 C   -4.886100      0.1433000      0.3385000    
 C   -4.801000       1.010400     -0.7507000    
 H  -0.3417000      -3.156500     -0.4647000    
 H   0.4912000      -1.610000     -0.3548000    
 H    1.671100      -4.305500      0.4452000    
 H    2.500200      -2.758500      0.5915000    
 H   0.6462000      -1.847000       2.110900    
 H  -0.1434000      -3.429200       2.036700    
 H    1.689100       2.346600       1.310900    
 H    2.031400      0.6499000       1.046000    
 H    1.503300      -3.948000      -2.049400    
 H    2.399700      -2.437600      -1.871800    
 H   -1.750000      -1.656100       2.661900    
 H   -2.164500      -2.410600       1.092400    
 H    4.168200     -3.5100002E-02  0.1611000    
 H    3.596500      0.6082000      -1.355500    
 H    5.201300       2.841200       1.112600    
 H    3.700300       3.286700       1.851300    
 H    1.152800       2.695100      -1.054700    
 H    1.509200      0.9841000      -1.414300    
 H    4.345600      -3.705600     -0.9272000    
 H    3.441100      -5.221700      -1.110300    
 H    3.905300      -4.286800      -2.542300    
 H    5.535100       2.218100      -1.441300    
 H    6.244000       1.337400     -6.4599998E-02
 H    5.925900      0.5032000      -1.576700    
 H    3.396700      0.9158000       2.737400    
 H    4.984100      0.4934000       2.049000    
 H    4.850200       1.715400       3.289900    
 H   -3.823400      -1.001700       1.793400    
 H   -3.506100       2.060500      -2.098600    
 H   -5.700000       1.404900      -1.217300    
 H   -6.211300     -0.8608000       1.633600    
 H   -6.991500      0.1281000      0.4176000    


%chk=000058030-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058030

0 1
O -1.679029 -0.718426 0.736814
O -0.181555 1.286821 -0.122368
O -1.230270 3.039826 -1.224940
N 3.541112 1.635809 -0.022936
N -6.524608 -0.359569 0.159856
C 0.455096 -2.747645 0.428706
C 1.907603 -3.133126 0.785563
C -0.438897 -2.556620 1.673508
C 2.186046 1.142806 0.324385
C 2.811953 -3.312300 -0.454971
C -1.847159 -2.057177 1.338152
C 4.050413 1.050482 -1.288584
C 4.497434 1.636200 1.111792
C 1.112402 1.975125 -0.391527
C 4.269770 -3.670772 -0.094035
C 5.277224 1.788226 -1.855111
C 4.940700 0.243292 1.640354
C -2.802898 -0.026165 0.291611
C -2.604734 1.247086 -0.343628
C -1.318068 1.939263 -0.608563
C -4.108678 -0.549040 0.450458
C -3.767222 1.937290 -0.791874
C -5.247569 0.167729 -0.006598
C -5.061683 1.432985 -0.637444
H 0.016021 -3.529487 -0.226696
H 0.451129 -1.805458 -0.151694
H 1.913163 -4.070977 1.381047
H 2.342092 -2.347649 1.440439
H 0.033856 -1.829061 2.361674
H -0.534233 -3.513609 2.227101
H 2.031683 1.233454 1.414908
H 2.041156 0.066779 0.068435
H 2.384862 -4.101320 -1.107239
H 2.797516 -2.376241 -1.051196
H -2.473368 -1.978175 2.251071
H -2.349241 -2.730513 0.611146
H 4.287223 -0.039983 -1.179023
H 3.231613 1.111814 -2.030025
H 5.391743 2.213026 0.811721
H 4.027101 2.205335 1.936321
H 1.074964 3.009012 -0.008047
H 1.274078 2.021734 -1.483974
H 4.727321 -2.880364 0.531117
H 4.316857 -4.617581 0.476834
H 4.894074 -3.790810 -0.998699
H 5.060216 2.866326 -1.956099
H 6.167670 1.672812 -1.211207
H 5.534663 1.386177 -2.852216
H 4.071864 -0.355814 1.971362
H 5.479507 -0.334046 0.866769
H 5.619812 0.362744 2.505233
H -4.257434 -1.519324 0.933444
H -3.602006 2.904372 -1.278124
H -5.926402 2.001487 -0.997466
H -6.667957 -1.260084 0.607444
H -7.340322 0.151121 -0.165283


