%chk=000018876.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018876

0 1
 O  -0.8546000      -1.352000     -0.2394000    
 O    1.116500     -0.4924000      -1.823100    
 O   0.9411000      -2.343200      0.8004000    
 N   -3.613900     -0.8608000      0.2570000    
 C    1.256900     -0.2396000     -0.4103000    
 C   -3.114900      -2.134200     -0.2609000    
 C   -4.721600     -0.3738000     -0.5642000    
 C   -4.035200      -1.005400       1.649900    
 C   -1.699300      -2.395100      0.2287000    
 C    2.736000     -0.2428000     -1.6300000E-02
 C   0.6016000       1.098000     -5.9400000E-02
 C   -4.192500      0.2391000      -1.858300    
 C   0.4690000      -1.440300      0.1197000    
 C   -4.499600      0.3225000       2.223800    
 C    3.118300     -0.6732000       1.254400    
 C   0.5946000       2.136700     -0.9906000    
 C    3.701600      0.1843000     -0.9278000    
 C   1.0900000E-02   1.278800       1.191300    
 C   -3.246400       1.396200      -1.576700    
 C    4.466100     -0.6764000       1.613500    
 C  -2.9000000E-03   3.356000     -0.6711000    
 C    5.049500      0.1809000     -0.5686000    
 C  -0.5866000       2.498000       1.510700    
 C    1.667200      -1.748900      -2.164200    
 C    5.431700     -0.2494000      0.7020000    
 C  -0.5935000       3.536700      0.5795000    
 H   -3.773100      -2.968800      1.1900000E-02
 H   -3.064700      -2.124100      -1.354800    
 H   -5.435400      -1.177000     -0.7897000    
 H   -5.301900      0.4192000     -8.5400000E-02
 H   -4.833300      -1.750400       1.761100    
 H   -3.194300      -1.338500       2.267100    
 H   -1.351300      -3.346800     -0.1911000    
 H   -1.642500      -2.467100       1.319700    
 H   -3.697200     -0.4954000      -2.500500    
 H   -5.045200      0.6181000      -2.435300    
 H   -3.829300       1.144500       1.949600    
 H   -5.522000      0.5789000       1.931200    
 H   -4.503500      0.2622000       3.318400    
 H    2.395600     -0.9581000       2.012200    
 H    1.054500       2.023300      -1.968300    
 H    3.431000      0.5418000      -1.917400    
 H   1.1800000E-02  0.4887000       1.937100    
 H   -3.714000       2.146300     -0.9308000    
 H   -2.325900       1.051900      -1.100200    
 H   -2.967200       1.887800      -2.514300    
 H    4.763100     -0.9983000       2.607300    
 H  -7.4999998E-03   4.165200      -1.395500    
 H    5.801200      0.5181000      -1.276400    
 H   -1.045800       2.639100       2.484800    
 H    2.034800      -1.672500      -3.193200    
 H   0.8756000      -2.506700      -2.184000    
 H    2.495800      -2.120600      -1.555200    
 H    6.480800     -0.2479000      0.9830000    
 H   -1.059000       4.485800      0.8283000    


%chk=000018876-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018876

0 1
O -1.259029 -0.968258 -1.667315
O 1.953899 -1.359423 -1.882041
O -0.283450 -2.367642 -0.083402
N -3.367162 -0.804607 0.582183
C 1.055193 -0.502887 -1.047091
C -3.605382 -0.969043 -0.870409
C -4.172865 0.327033 1.128682
C -3.556225 -2.070664 1.346031
C -2.520621 -1.757301 -1.615515
C 1.744486 -0.120956 0.275070
C 0.783064 0.748458 -1.903597
C -3.526812 1.712937 0.898123
C -0.225858 -1.362443 -0.834395
C -2.824046 -2.071200 2.700113
C 1.151237 -0.277337 1.549763
C 1.033960 0.746098 -3.295762
C 3.040286 0.452909 0.184335
C 0.248205 1.912061 -1.298528
C -2.284969 1.943780 1.783078
C 1.841687 0.134616 2.713787
C 0.759750 1.895708 -4.070535
C 3.732602 0.853524 1.344662
C -0.033501 3.056870 -2.074401
C 2.516688 -2.559582 -1.238146
C 3.132960 0.697514 2.617995
C 0.221794 3.054514 -3.465579
H -4.585063 -1.476461 -1.083074
H -3.663853 0.034584 -1.328230
H -5.206476 0.316253 0.699110
H -4.286356 0.173581 2.217687
H -4.644309 -2.289811 1.497766
H -3.145418 -2.898585 0.741632
H -2.811071 -1.887761 -2.671652
H -2.308789 -2.738452 -1.157387
H -3.247533 1.823183 -0.168129
H -4.288488 2.491904 1.106374
H -1.738288 -1.961690 2.536717
H -3.162662 -1.251339 3.359285
H -3.002143 -3.025129 3.230787
H 0.160297 -0.730953 1.642473
H 1.450107 -0.152769 -3.756649
H 3.495543 0.577714 -0.804664
H 0.058511 1.928356 -0.219717
H -2.559173 1.955764 2.855542
H -1.551819 1.133193 1.629204
H -1.794293 2.907038 1.550321
H 1.368953 0.009837 3.694587
H 0.964244 1.884783 -5.147440
H 4.733525 1.291246 1.258498
H -0.445204 3.951440 -1.592950
H 3.185900 -2.988881 -2.000858
H 1.727796 -3.284092 -0.967289
H 3.095688 -2.296638 -0.333480
H 3.666842 1.012158 3.521850
H 0.008743 3.945248 -4.067822


