%chk=000037882.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037882

0 1
 O   0.1374000       2.016000     -0.6575000    
 O    5.145300      0.1831000      0.7810000    
 O   -4.614400     -0.3127000      0.9251000    
 N    6.652500      -1.984400     -0.2401000    
 N   -7.756300      -1.309100     -0.7203000    
 C   0.2830000     -0.3486000       1.063700    
 C    1.489400      0.3851000      0.5574000    
 C   -1.006100      0.2585000      0.5944000    
 C    1.352900       1.509100     -0.2624000    
 C   -1.008300       1.389100     -0.2277000    
 C    2.773700     -5.5300001E-02  0.9046000    
 C   -2.228100     -0.3091000      0.9787000    
 C    3.902500      0.6190000      0.4380000    
 C   -3.432700      0.2464000      0.5461000    
 C    2.483900       2.184500     -0.7293000    
 C   -2.215200       1.945300     -0.6607000    
 C    3.757400       1.738500     -0.3785000    
 C   -3.425900       1.373100     -0.2733000    
 C    6.197200      0.4191000     -0.1540000    
 C   -5.711700     -0.1863000      2.2000000E-02
 C    7.241300     -0.6752000     -8.9999998E-04
 C   -6.610700      -1.403100      0.1723000    
 C    6.084700      -2.058900      -1.588500    
 C    7.648000      -3.042600     -5.1899999E-02
 C   -8.525700     -9.2299998E-02 -0.4493000    
 C   -8.614200      -2.489200     -0.5888000    
 H   0.3305000      -1.387900      0.7160000    
 H   0.2988000     -0.3391000       2.160400    
 H    2.894100     -0.9291000       1.541100    
 H   -2.240400      -1.189000       1.618000    
 H    2.378600       3.062600      -1.361300    
 H   -2.218000       2.828100      -1.294800    
 H    4.607300       2.311400     -0.7374000    
 H   -4.339600       1.854900     -0.6084000    
 H    6.662600       1.380100      9.8499998E-02
 H    5.852200      0.4854000      -1.192300    
 H   -6.223500      0.7429000      0.2893000    
 H   -5.375600     -0.1372000      -1.022500    
 H    7.624200     -0.6421000       1.026900    
 H    8.084400     -0.4778000     -0.6751000    
 H   -6.917700      -1.505700       1.222200    
 H   -6.021400      -2.300300     -5.8100000E-02
 H    5.772400      -3.086300      -1.812800    
 H    5.172900      -1.462100      -1.684800    
 H    6.800100      -1.754100      -2.361000    
 H    8.054900      -3.011500      0.9651000    
 H    8.480400      -2.957400     -0.7600000    
 H    7.189100      -4.030000     -0.1742000    
 H   -9.469700     -0.1064000      -1.008300    
 H   -8.772200      2.0600000E-02  0.6128000    
 H   -8.007600      0.8052000     -0.8007000    
 H   -8.050800      -3.401100     -0.8166000    
 H   -9.033700      -2.584800      0.4194000    
 H   -9.441900      -2.446400      -1.305600    


%chk=000037882-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037882

0 1
O -0.014674 1.697829 -1.155933
O 4.978217 -0.393097 0.393334
O -4.848182 -0.893243 0.117943
N 7.699245 -1.689918 -0.303375
N -8.575253 -0.671546 0.033061
C 0.080052 -0.916982 0.277356
C 1.319203 -0.101675 -0.064113
C -1.214953 -0.232498 -0.136300
C 1.221101 1.134833 -0.751354
C -1.205902 1.009434 -0.820703
C 2.603640 -0.561655 0.290243
C -2.463873 -0.821441 0.149168
C 3.766116 0.179241 -0.026139
C -3.675244 -0.201263 -0.233747
C 2.369146 1.882345 -1.075703
C -2.404892 1.636057 -1.211785
C 3.649637 1.413129 -0.717235
C -3.648487 1.037444 -0.923999
C 6.220524 0.315804 0.050472
C -6.136327 -0.272746 -0.232242
C 7.388516 -0.533323 0.562497
C -7.223778 -1.223498 0.286852
C 8.485283 -1.327155 -1.496079
C 8.281253 -2.829468 0.429669
C -8.967840 0.371760 1.003872
C -9.608644 -1.720179 -0.088662
H 0.145259 -1.909860 -0.213179
H 0.059786 -1.121441 1.366817
H 2.724050 -1.513527 0.819362
H -2.515084 -1.779157 0.679131
H 2.245720 2.830518 -1.607413
H -2.349823 2.592138 -1.740696
H 4.529300 2.008887 -0.975126
H -4.569525 1.535737 -1.238148
H 6.226176 1.310801 0.545054
H 6.279611 0.463555 -1.046927
H -6.208729 0.727451 0.241547
H -6.228144 -0.155944 -1.329822
H 7.111142 -0.904375 1.565780
H 8.277533 0.137724 0.696776
H -7.038869 -1.432936 1.369059
H -7.124745 -2.183702 -0.250256
H 8.585481 -2.206529 -2.156688
H 7.970577 -0.537258 -2.071356
H 9.515381 -0.957025 -1.251112
H 7.603423 -3.130732 1.247395
H 9.289149 -2.616079 0.871017
H 8.390201 -3.690461 -0.254536
H -9.935891 0.810445 0.703162
H -9.072794 -0.020230 2.047759
H -8.223007 1.185863 1.020736
H -9.328154 -2.431064 -0.885604
H -9.769463 -2.300633 0.855151
H -10.572148 -1.257457 -0.369083


