%chk=000053034.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053034

0 1
 O   -3.610300     -0.3150000      2.4200000E-02
 O   0.2885000       2.963400     -0.1950000    
 O    6.601300      0.1463000      0.8229000    
 O   -6.516700      -2.246100      0.2157000    
 O   -4.394400      -2.805200      7.0500001E-02
 N    5.039100      -1.272500     -0.2287000    
 N   -5.296500      -1.919500      0.1343000    
 C    1.494100      0.9511000     -0.1917000    
 C    3.857700     -0.5307000     -0.2167000    
 C    1.511100     -0.3252000     -0.7541000    
 C    2.658800       1.486600      0.3583000    
 C    2.692800      -1.066100     -0.7666000    
 C    3.840700      0.7457000      0.3458000    
 C   0.2618000       1.723400     -0.1776000    
 C   -3.489700       1.028200      1.9200001E-02
 C   -1.048300      0.9877000     -0.1105000    
 C   -2.206900       1.662800     -6.5700002E-02
 C   -4.701100       1.648600      0.1028000    
 C   -4.941900     -0.5692000      0.1138000    
 C   -5.655700      0.6056000      0.1649000    
 C    6.296000     -0.9060000      0.2709000    
 C    7.319500      -1.994100      6.3199997E-02
 H   0.6377000     -0.7661000      -1.224900    
 H    2.663300       2.477600      0.8049000    
 H    2.693900      -2.056400      -1.215000    
 H    4.700900       1.225900      0.7908000    
 H   -1.040200     -9.4300002E-02 -4.8799999E-02
 H   -2.204300       2.749400     -9.9200003E-02
 H    4.969200      -2.193600     -0.6564000    
 H   -4.894100       2.712300      0.1186000    
 H   -6.729500      0.7051000      0.2378000    
 H    7.016200      -2.894400      0.6047000    
 H    8.292500      -1.664300      0.4378000    
 H    7.409000      -2.221100      -1.002900    


%chk=000053034-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000053034

0 1
O -3.716266 -0.280128 -0.108648
O 0.260423 2.926792 0.312693
O 6.824442 0.359296 0.088648
O -6.809062 -2.070605 -0.348100
O -4.631725 -2.816309 -0.412243
N 5.164811 -1.290585 -0.134616
N -5.523259 -1.885263 -0.314302
C 1.482278 0.859040 0.085255
C 3.970749 -0.532782 -0.053765
C 1.515102 -0.553699 -0.091034
C 2.722349 1.549733 0.190637
C 2.738480 -1.237861 -0.159543
C 3.953893 0.881402 0.124760
C 0.223024 1.657815 0.164181
C -3.579643 1.122828 0.051884
C -1.091415 0.959521 0.067287
C -2.257105 1.679136 0.132215
C -4.859584 1.701663 0.101269
C -5.088621 -0.526592 -0.153828
C -5.821451 0.651554 -0.029586
C 6.498476 -0.850023 -0.065069
C 7.519627 -1.978804 -0.196715
H 0.592960 -1.135410 -0.178403
H 2.689324 2.635731 0.326288
H 2.742292 -2.326806 -0.296271
H 4.897878 1.421699 0.206591
H -1.134089 -0.126499 -0.054869
H -2.183443 2.767543 0.255316
H 5.036353 -2.297944 -0.263192
H -5.064739 2.763782 0.219017
H -6.905451 0.726211 -0.034725
H 7.430089 -2.698441 0.638327
H 8.528218 -1.542491 -0.177767
H 7.389584 -2.533604 -1.144392


