%chk=000151347.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000151347

0 1
 O   -1.899600     -0.8745000      8.4200002E-02
 O   -1.313200       2.281600     -0.5048000    
 O   2.7700000E-02  -1.079200       1.334900    
 O   0.5765000       1.347200      -1.441300    
 N   -4.834700      0.1544000      0.6577000    
 C   -3.546500      0.8947000      0.5344000    
 C   -3.490400       1.386100     -0.9122000    
 C   -2.472700     -4.8400000E-02   1.087200    
 C   -4.297400      0.3399000      -1.664900    
 C   -5.420100      3.0200001E-02 -0.6850000    
 C   -4.552100      -1.145900       1.279200    
 C   -3.261200     -0.9204000       2.049400    
 C   -2.118600       1.668700      -1.498400    
 C  -0.6292000      -1.329600      0.3334000    
 C   3.4899998E-02   2.038600     -0.5894000    
 C  -0.1707000      -2.185800     -0.8230000    
 C   0.7423000       2.757500      0.5346000    
 C    1.206700      -2.761600     -0.6186000    
 C    2.237800       2.576400      0.4993000    
 C    2.329100      -2.055300      -1.051300    
 C    1.359600      -4.000600      3.7000000E-03
 C    2.827300       1.508600       1.176400    
 C    3.032900       3.476200     -0.2106000    
 C    3.604300      -2.588100     -0.8619000    
 C    2.634800      -4.533300      0.1931000    
 C    3.757100      -3.827000     -0.2397000    
 C    4.211600       1.340800       1.143600    
 C    4.417300       3.308200     -0.2434000    
 C    5.006600       2.240500      0.4336000    
 H   -3.612800       1.760100       1.207600    
 H   -4.055000       2.330900     -0.9440000    
 H   -1.704700      0.5293000       1.614800    
 H   -4.678100      0.7195000      -2.618100    
 H   -3.703900     -0.5598000      -1.864000    
 H   -6.205600      0.7895000     -0.7824000    
 H   -5.889400     -0.9397000     -0.8820000    
 H   -4.393600      -1.935500      0.5333000    
 H   -5.369100      -1.455800       1.937700    
 H   -3.462700     -0.3813000       2.982900    
 H   -2.766200      -1.867500       2.283600    
 H   -1.668700      0.7434000      -1.874500    
 H   -2.211300       2.354200      -2.348600    
 H  -0.8913000      -3.000900     -0.9605000    
 H  -0.1833000      -1.576900      -1.734800    
 H   0.5013000       3.825400      0.4731000    
 H   0.3494000       2.384200       1.487900    
 H    2.224000      -1.088100      -1.535200    
 H   0.4931000      -4.559400      0.3473000    
 H    2.219100      0.7998000       1.731600    
 H    2.585500       4.310700     -0.7440000    
 H    4.478100      -2.037300      -1.197500    
 H    2.754000      -5.497600      0.6783000    
 H    4.750000      -4.241400     -9.1600001E-02
 H    4.670100      0.5084000       1.669400    
 H    5.036400       4.008300     -0.7968000    
 H    6.084300       2.109300      0.4074000    


%chk=000151347-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000151347

0 1
O -1.940816 -0.913457 0.176636
O -1.297494 2.288582 -0.794241
O 0.090341 -0.898940 1.326684
O 0.565366 1.064434 -1.485324
N -4.892093 0.166477 0.721654
C -3.600196 0.930137 0.538450
C -3.555216 1.315632 -0.979918
C -2.504258 0.046583 1.184594
C -4.441947 0.235113 -1.659404
C -5.555569 0.004656 -0.602420
C -4.620952 -1.071635 1.508928
C -3.293914 -0.759048 2.237340
C -2.181328 1.427219 -1.641794
C -0.605127 -1.308849 0.373054
C 0.072920 1.994663 -0.809654
C -0.182744 -2.250978 -0.751683
C 0.811333 2.972644 0.102057
C 1.244756 -2.757427 -0.640171
C 2.273549 2.637168 0.344285
C 2.333330 -1.881521 -0.884807
C 1.508702 -4.105623 -0.296694
C 2.640745 1.429074 0.991618
C 3.290123 3.538632 -0.055569
C 3.661191 -2.351072 -0.785067
C 2.838254 -4.577648 -0.199401
C 3.918877 -3.699962 -0.444064
C 4.000631 1.134660 1.232267
C 4.652179 3.246412 0.188154
C 5.011024 2.041903 0.834501
H -3.617910 1.863085 1.135446
H -4.070079 2.292869 -1.068985
H -1.665833 0.620883 1.609725
H -4.839618 0.559313 -2.637625
H -3.853824 -0.690500 -1.803030
H -6.361156 0.755535 -0.727461
H -6.016657 -0.997301 -0.682534
H -4.489244 -1.960646 0.848687
H -5.441882 -1.287548 2.216535
H -3.478258 -0.116621 3.118018
H -2.749021 -1.657257 2.569755
H -1.704621 0.443179 -1.761088
H -2.257378 1.916891 -2.629884
H -0.907854 -3.085324 -0.779039
H -0.322326 -1.685224 -1.693311
H 0.707413 3.977693 -0.349414
H 0.245361 3.013495 1.052705
H 2.137035 -0.836068 -1.149865
H 0.673036 -4.790484 -0.104264
H 1.870769 0.711871 1.300808
H 3.017512 4.473893 -0.560835
H 4.492720 -1.662803 -0.975553
H 3.028658 -5.624270 0.064431
H 4.950486 -4.063141 -0.371354
H 4.268300 0.195124 1.728847
H 5.426983 3.955147 -0.125683
H 6.065421 1.812079 1.026058


