%chk=000142977.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000142977

0 1
 O    1.395200      0.1664000      -2.137800    
 O   -1.366100     -0.5658000      -2.185300    
 N    3.072500     -5.2700002E-02 -0.5235000    
 N   -3.115300     -0.2551000     -0.6496000    
 C    5.871800      0.1314000      0.1576000    
 C    5.415300     -0.1914000      -1.265400    
 C    4.810600      0.9371000      0.9072000    
 C    4.046200     -0.8662000      -1.263900    
 C    3.450600      0.2450000      0.8583000    
 C    1.842600      0.3914000      -1.014300    
 C   0.9888000       1.188200     -0.1243000    
 C   4.5400001E-02  0.5936000      0.7132000    
 C   -3.687100     -0.5401000      0.6846000    
 C   -4.630000      0.5582000       1.168800    
 C  -0.1333000     -0.8451000      0.7433000    
 C   -5.703200      0.8578000      0.1275000    
 C   -1.041800      -1.478900     -0.1046000    
 C    1.139600       2.574600     -0.1329000    
 C   -1.858600     -0.7239000      -1.068100    
 C   -3.903200      0.4552000      -1.548000    
 C  -0.7478000       1.386300       1.542900    
 C   -5.107900      0.9555000      -1.241900    
 C   0.6236000      -1.597200       1.641800    
 C   0.3465000       3.367100      0.6969000    
 C   -1.193100      -2.864700     -5.4000001E-02
 C  -0.5971000       2.773000       1.534700    
 C   0.4721000      -2.982900       1.692300    
 C  -0.4363000      -3.616700      0.8446000    
 H    6.070100     -0.8026000      0.6978000    
 H    6.812500      0.6923000      0.1282000    
 H    5.362100      0.7392000      -1.844300    
 H    6.150300     -0.8385000      -1.756400    
 H    5.120300       1.078400       1.948500    
 H    4.728500       1.932900      0.4539000    
 H    3.691800      -1.011100      -2.289300    
 H    4.093400      -1.848900     -0.7810000    
 H    3.516300     -0.7158000       1.383400    
 H    2.737300      0.8560000       1.410200    
 H   -2.903700     -0.6997000       1.427200    
 H   -4.230600      -1.489400      0.5932000    
 H   -4.050500       1.470400       1.361900    
 H   -5.095900      0.2682000       2.117000    
 H   -6.199700       1.800500      0.3828000    
 H   -6.468900      7.3500000E-02  0.1288000    
 H    1.871900       3.049500     -0.7807000    
 H   -3.507100      0.5864000      -2.549400    
 H   -5.680700       1.470000      -2.007700    
 H   -1.476600      0.9456000       2.217500    
 H    1.321400      -1.122400       2.326200    
 H   0.4645000       4.446700      0.6914000    
 H   -1.897900      -3.370400     -0.7093000    
 H   -1.212100       3.389800       2.183500    
 H    1.057900      -3.567900       2.395200    
 H  -0.5550000      -4.695500      0.8850000    


%chk=000142977-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000142977

0 1
O 2.167338 -0.508662 -1.947106
O -2.108012 0.138262 -2.083714
N 3.665534 -0.106086 -0.206259
N -3.762130 -0.219688 -0.473557
C 6.461735 0.420340 0.455752
C 6.036758 -0.081005 -0.946081
C 5.311522 1.207010 1.129267
C 4.725896 -0.896625 -0.871388
C 4.012059 0.367822 1.150546
C 2.432681 0.057532 -0.841018
C 1.440752 1.012986 -0.201015
C 0.143251 0.594192 0.221439
C -4.206099 -0.703839 0.860002
C -5.147873 0.325832 1.524159
C -0.254079 -0.847887 0.259606
C -6.384618 0.593659 0.633564
C -1.524043 -1.298462 -0.213207
C 1.774843 2.391070 -0.184875
C -2.457598 -0.392665 -0.988315
C -4.723941 0.458597 -1.267358
C -0.770139 1.586421 0.666954
C -5.957373 0.808252 -0.806778
C 0.621835 -1.803441 0.839583
C 0.848853 3.363436 0.245838
C -1.868248 -2.670608 -0.111939
C -0.432323 2.954433 0.678572
C 0.275510 -3.166330 0.932758
C -0.977129 -3.607270 0.450378
H 6.726925 -0.451582 1.089778
H 7.368060 1.050376 0.383160
H 5.882388 0.782683 -1.621884
H 6.831678 -0.709727 -1.390640
H 5.583322 1.484515 2.165868
H 5.125138 2.146785 0.572840
H 4.351617 -1.174339 -1.869964
H 4.896862 -1.831375 -0.295274
H 4.168276 -0.517723 1.806662
H 3.172732 0.948287 1.563806
H -3.318243 -0.889171 1.485423
H -4.741000 -1.668004 0.741406
H -4.595126 1.271829 1.681207
H -5.450304 -0.052566 2.518033
H -6.930367 1.483465 1.003179
H -7.099688 -0.252926 0.705509
H 2.763708 2.700906 -0.542962
H -4.380430 0.672124 -2.282663
H -6.653200 1.289075 -1.502329
H -1.759161 1.276683 1.022201
H 1.584398 -1.465984 1.238174
H 1.121228 4.424342 0.237406
H -2.833440 -3.008224 -0.507643
H -1.163642 3.694720 1.020715
H 0.977278 -3.878740 1.380158
H -1.254370 -4.665407 0.505727


