%chk=000120962.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000120962

0 1
 O   -1.900200     -0.6524000      0.9959000    
 O   -6.721700       1.532000     -0.3401000    
 N   0.6938000      -1.469200      0.3340000    
 N    3.263400     -0.2833000     -5.3800002E-02
 C   0.8731000     -0.3862000     -0.6405000    
 C    1.908000      -2.292400      0.3948000    
 C    2.049100      0.5138000     -0.2529000    
 C    3.117700      -1.455800      0.8180000    
 C  -0.4647000      -2.289500     -1.7800000E-02
 C    4.517500      0.3337000     -0.1220000    
 C   -1.733600      -1.487400     -4.4900000E-02
 C   -2.759000      -1.440800     -0.9283000    
 C   -3.667200     -0.4850000     -0.4014000    
 C    4.682200       1.684800      0.2429000    
 C    5.653700     -0.3777000     -0.5565000    
 C   -3.093500     -3.0099999E-02  0.7813000    
 C   -4.909000      4.5299999E-02 -0.7927000    
 C    5.932400       2.299800      0.1759000    
 C    6.903900      0.2373000     -0.6235000    
 C   -3.672600      0.9255000       1.614100    
 C    7.043300       1.576000     -0.2573000    
 C   -5.516200       1.008700      2.4400000E-02
 C   -4.907100       1.439100       1.205900    
 C   -7.293300       1.053900      -1.555400    
 H  -7.7000000E-03  0.2622000     -0.7024000    
 H    1.044500     -0.7960000      -1.645500    
 H    2.108900      -2.761400     -0.5780000    
 H    1.777800      -3.099600       1.125800    
 H    1.807200       1.061300      0.6672000    
 H    2.195600       1.247200      -1.055700    
 H    4.005100      -2.098300      0.7842000    
 H    3.000400      -1.120400       1.856600    
 H  -0.5968000      -3.083000      0.7287000    
 H  -0.3232000      -2.779900     -0.9901000    
 H   -2.860800      -2.011700      -1.840300    
 H    3.842400       2.277100      0.5976000    
 H    5.567200      -1.418900     -0.8593000    
 H   -5.333300     -0.3260000      -1.717200    
 H    6.041900       3.341300      0.4635000    
 H    7.768500     -0.3253000     -0.9634000    
 H   -3.193900       1.254300       2.528700    
 H    8.016800       2.054800     -0.3095000    
 H   -5.397100       2.187500       1.824600    
 H   -8.246600       1.575400      -1.690900    
 H   -7.521400     -1.6000001E-02  -1.500700    
 H   -6.669100       1.302700      -2.420400    


%chk=000120962-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000120962

0 1
O -2.154181 -0.984059 1.225253
O -6.979105 1.446268 -0.172924
N 0.752197 -1.411349 0.226278
N 3.392755 -0.274350 -0.095551
C 1.016436 -0.388866 -0.810783
C 1.960779 -2.239343 0.443503
C 2.187216 0.521724 -0.399715
C 3.131814 -1.350125 0.889457
C -0.444714 -2.242255 -0.064879
C 4.670858 0.338623 -0.151397
C -1.729210 -1.472652 -0.040618
C -2.652346 -1.154345 -1.021925
C -3.733361 -0.420502 -0.384649
C 4.824315 1.733297 -0.422346
C 5.861846 -0.433410 0.022320
C -3.386871 -0.335936 0.993139
C -4.943278 0.167458 -0.838618
C 6.105739 2.315463 -0.527991
C 7.134255 0.161702 -0.074791
C -4.183340 0.306883 1.953727
C 7.274582 1.542157 -0.354341
C -5.754421 0.817086 0.119210
C -5.381008 0.886521 1.496866
C -7.434190 1.418750 -1.562517
H 0.110409 0.229113 -0.943197
H 1.257426 -0.865910 -1.796554
H 2.255138 -2.794500 -0.484696
H 1.748597 -2.980031 1.237251
H 1.877029 1.140607 0.473772
H 2.404220 1.198486 -1.243946
H 4.029869 -1.973826 1.014410
H 2.882006 -0.908921 1.881310
H -0.485073 -3.039418 0.702702
H -0.375219 -2.746334 -1.062674
H -2.567144 -1.417314 -2.074915
H 3.947203 2.378087 -0.526964
H 5.798770 -1.510978 0.204609
H -5.226646 0.113137 -1.893020
H 6.185644 3.389524 -0.734045
H 8.025347 -0.463414 0.057374
H -3.888364 0.355289 3.005199
H 8.266266 1.999651 -0.431854
H -6.055963 1.404438 2.184091
H -8.391332 1.960656 -1.564097
H -7.593300 0.380285 -1.914845
H -6.715249 1.930033 -2.233019


