%chk=000149823.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149823

0 1
 O    3.193700      0.2731000       1.557600    
 O   -3.210100     -0.1662000      -1.586700    
 O    6.730200      -2.575500      0.2322000    
 O   -6.767400       2.547200     -5.6600001E-02
 O    4.649600      -2.283000     -0.4184000    
 O   -4.673200       2.248500      0.5459000    
 N    1.382300     -0.2031000      0.1841000    
 N   -1.386300      0.2506000     -0.2104000    
 N    4.983700      0.4796000     -0.3552000    
 N   -4.971200     -0.5108000      0.3332000    
 N    6.768900       1.679200      0.1825000    
 N   -6.748800      -1.703900     -0.2427000    
 N    5.771900      -1.811000     -7.7200003E-02
 N   -5.794100       1.780400      0.1945000    
 C   0.4527000     -0.3797000       1.302600    
 C   0.7918000     -0.4299000      -1.141800    
 C  -0.7957000      0.4781000       1.115300    
 C  -0.4567000      0.4281000      -1.328900    
 C    2.722700      8.6900003E-02  0.4327000    
 C   -2.726500     -4.1000001E-02 -0.4588000    
 C    3.627900      0.1754000     -0.7698000    
 C   -3.614500     -0.2110000      0.7478000    
 C    5.514500       1.728300     -0.2079000    
 C   -5.488100      -1.756700      0.1255000    
 C    5.955400     -0.4245000     -4.0899999E-02
 C   -5.959300      0.3956000      8.2900003E-02
 C    7.050000      0.3400000      0.2880000    
 C   -7.048600     -0.3649000     -0.2718000    
 C    4.732900       2.954800     -0.4660000    
 C   -4.687600      -2.984800      0.3080000    
 H   0.1836000      -1.442500       1.328900    
 H   0.9341000     -0.1364000       2.254800    
 H    1.496100     -0.2227000      -1.948700    
 H   0.5331000      -1.494300      -1.194300    
 H   -1.499300      0.2721000       1.923000    
 H  -0.5367000       1.542500       1.167000    
 H  -0.1881000       1.491000      -1.355300    
 H  -0.9381000      0.1837000      -2.280800    
 H    3.592200     -0.6919000      -1.425600    
 H    3.284700       1.014500      -1.386200    
 H   -3.248900      -1.076500       1.312800    
 H   -3.586600      0.6191000       1.450400    
 H    8.028600      8.9999998E-04  0.5970000    
 H   -8.036300     -2.3000000E-02 -0.5470000    
 H    5.313500       3.840300     -0.1869000    
 H    3.808300       2.970700      0.1191000    
 H    4.484200       3.044800      -1.528000    
 H   -3.770600      -2.956900     -0.2884000    
 H   -5.260400      -3.861800     -1.1000000E-02
 H   -4.424000      -3.127900       1.360500    


%chk=000149823-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000149823

0 1
O 2.856774 1.751242 1.274451
O -2.849534 -1.754529 -1.300279
O 5.842796 -2.731739 -0.021770
O -5.837371 2.728930 0.001182
O 3.851654 -1.851668 -0.739007
O -3.844274 1.848980 0.713122
N 1.392996 0.304210 0.187091
N -1.386927 -0.305005 -0.214612
N 4.950821 0.792601 -0.421286
N -4.943593 -0.795419 0.396530
N 7.018613 1.309875 0.382811
N -7.012003 -1.312631 -0.406109
N 5.082096 -1.725680 -0.309047
N -5.075881 1.722937 0.286567
C 0.439433 0.383531 1.320382
C 0.992510 -0.683905 -0.842747
C -0.986484 0.683323 0.814967
C -0.433492 -0.384034 -1.347988
C 2.576148 1.015693 0.274650
C -2.569240 -1.017951 -0.301131
C 3.573753 0.982762 -0.909953
C -3.566114 -0.985723 0.884090
C 5.831880 1.812741 -0.075138
C -5.824670 -1.815534 0.050241
C 5.621244 -0.419085 -0.137984
C -5.614799 0.416305 0.115159
C 6.893218 -0.065447 0.346522
C -6.887147 0.062696 -0.368370
C 5.511842 3.268039 -0.175812
C -5.504136 -3.270829 0.149254
H 0.451783 -0.580865 1.867313
H 0.787502 1.178036 1.999627
H 1.686046 -0.676731 -1.693742
H 1.031227 -1.697519 -0.399484
H -1.680304 0.676763 1.665714
H -1.025021 1.696749 0.371235
H -0.445805 0.580543 -1.894575
H -0.781527 -1.178353 -2.027459
H 3.356587 0.211417 -1.655618
H 3.528284 1.974488 -1.392419
H -3.520189 -1.977773 1.365847
H -3.348295 -0.214922 1.630136
H 7.687858 -0.736483 0.661208
H -7.682343 0.733742 -0.681631
H 6.379645 3.834275 0.193428
H 4.629154 3.515115 0.440057
H 5.311474 3.584102 -1.217432
H -4.622414 -3.517105 -0.468313
H -6.372447 -3.836981 -0.218926
H -5.301829 -3.587686 1.190251


