%chk=000036357.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036357

0 1
 O  -0.8237000     -0.1862000      -1.395900    
 O    5.173200     -0.4404000      0.5938000    
 O    8.554200     -5.4000001E-03 -0.1757000    
 O    7.542400     -0.6297000       1.674700    
 N   -2.989700     -8.1900001E-02  0.2798000    
 N   0.5569000     -0.6584000      0.4048000    
 N    1.681400     -0.3783000     -0.2934000    
 N    7.493000     -0.2633000      0.4641000    
 C   -2.900300       1.291000      0.7629000    
 C   -4.217700     -0.7183000      0.7596000    
 C   -3.788200       2.207800     -7.6800004E-02
 C   -4.618500      -1.864400     -0.1678000    
 C   -3.692900       3.658600      0.4000000    
 C   -5.912900      -2.530500      0.3038000    
 C   -1.819700     -0.8540000      0.7016000    
 C   -4.607000       4.573400     -0.4149000    
 C   -6.298200      -3.700400     -0.6014000    
 C  -0.6675000     -0.5358000     -0.2277000    
 C   -4.490000       6.021200      3.4299999E-02
 C   -7.601400      -4.344100     -0.1554000    
 C    2.772800     -0.5201000      0.3876000    
 C    4.079900     -0.2645000     -0.1940000    
 C    4.452700      0.1430000      -1.453800    
 C    5.865600      0.2226000      -1.438900    
 C    6.255700     -0.1418000     -0.1713000    
 H   -3.160000       1.360800       1.827600    
 H   -1.873300       1.668200      0.6715000    
 H   -4.102700      -1.074600       1.792200    
 H   -5.058400     -1.6200000E-02  0.7790000    
 H   -3.483100       2.152600      -1.129900    
 H   -4.838100       1.899500     -3.4899998E-02
 H   -4.758600      -1.482200      -1.187200    
 H   -3.832500      -2.625800     -0.2186000    
 H   -3.968800       3.717100       1.460000    
 H   -2.655600       4.005000      0.3162000    
 H   -5.788700      -2.890100       1.332600    
 H   -6.723200      -1.791400      0.3151000    
 H   -1.973700      -1.934700      0.6065000    
 H   -1.557900     -0.6560000       1.748600    
 H   -4.349300       4.506000      -1.478200    
 H   -5.648500       4.247200     -0.3120000    
 H   -6.406100      -3.351800      -1.635100    
 H   -5.502800      -4.454800     -0.5946000    
 H   -4.770400       6.129100       1.087000    
 H   -3.466100       6.388500     -8.8299997E-02
 H   -5.152600       6.657400     -0.5608000    
 H   -7.518400      -4.731300      0.8651000    
 H   -8.424900      -3.623500     -0.1839000    
 H   -7.857400      -5.178600     -0.8157000    
 H   0.6508000     -0.9504000       1.372900    
 H    2.765800     -0.8429000       1.445300    
 H    3.794100      0.3576000      -2.283500    
 H    6.513200      0.5106000      -2.255100    


%chk=000036357-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036357

0 1
O -0.635723 0.622106 -1.095240
O 5.346394 -0.951076 0.513541
O 8.746327 -0.564918 -0.554408
O 7.858229 -1.653454 1.271497
N -3.033826 0.071617 0.435545
N 0.645683 -0.535528 0.498617
N 1.841617 -0.253429 -0.104724
N 7.751570 -0.952473 0.189234
C -3.054002 1.500296 0.847231
C -4.243320 -0.692707 0.829845
C -3.938953 2.371063 -0.068314
C -4.556908 -1.883718 -0.101420
C -3.971015 3.850785 0.375849
C -5.852909 -2.621474 0.304951
C -1.787658 -0.623139 0.732610
C -4.865859 4.731504 -0.526047
C -6.168264 -3.832950 -0.602219
C -0.582248 -0.089735 -0.072016
C -4.893228 6.211171 -0.086345
C -7.468206 -4.562590 -0.200763
C 2.943223 -0.711386 0.464811
C 4.215692 -0.426574 -0.150269
C 4.623236 0.274027 -1.297523
C 6.047843 0.190144 -1.360380
C 6.448818 -0.556103 -0.252265
H -3.386003 1.610896 1.911179
H -2.021476 1.890687 0.790815
H -4.175556 -1.055732 1.889055
H -5.099519 0.005277 0.797126
H -3.547216 2.286296 -1.099134
H -4.975108 1.975810 -0.086595
H -4.639977 -1.503054 -1.137179
H -3.718786 -2.611128 -0.099725
H -4.331695 3.920106 1.424320
H -2.938820 4.259521 0.373452
H -5.772291 -2.966062 1.357753
H -6.706438 -1.912208 0.274826
H -1.903443 -1.692340 0.465346
H -1.513494 -0.607518 1.826735
H -4.507248 4.660441 -1.572752
H -5.897850 4.324366 -0.523057
H -6.243547 -3.490216 -1.654045
H -5.317608 -4.544099 -0.567941
H -5.274770 6.311113 0.947645
H -3.878348 6.651118 -0.112293
H -5.540880 6.818086 -0.745510
H -7.407733 -4.938814 0.838073
H -8.339162 -3.882961 -0.260462
H -7.668238 -5.425886 -0.861546
H 0.607888 -1.079437 1.376960
H 2.968444 -1.309198 1.394732
H 3.951729 0.776617 -1.989278
H 6.713536 0.612258 -2.108499


