%chk=000005819.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005819

0 1
 I   0.1456000     -0.7021000      -3.237400    
 I   0.6342000      -2.540200       2.561600    
 I    6.594200     -0.2322000     -0.4190000    
 I    1.878600       3.328500       1.109000    
 O    1.438700      -1.801700     -0.4835000    
 O   -3.200600       2.169800     -0.5863000    
 O   -5.395200       1.839900      -1.055900    
 O    4.912900       2.359000      0.5438000    
 N   -5.693800      0.6242000       1.386200    
 C   -4.074900     -0.8508000      0.2824000    
 C   -4.374200      0.5785000      0.7604000    
 C   -2.599100      -1.104800      7.7600002E-02
 C   -1.841000      -1.582700       1.133600    
 C   -2.034300     -0.8548000      -1.162000    
 C   0.1052000      -1.570800     -0.2980000    
 C  -0.6725000      -1.089700      -1.351200    
 C  -0.4791000      -1.817400      0.9443000    
 C   -4.404000       1.571000     -0.3892000    
 C    2.309300     -0.7591000     -0.2258000    
 C    1.801700      0.4555000      0.2026000    
 C    3.668500     -0.9539000     -0.4023000    
 C    4.546900      9.7999997E-02 -0.1425000    
 C    2.680200       1.507400      0.4622000    
 C    4.052700       1.328700      0.2896000    
 H   -4.616500      -1.071900     -0.6477000    
 H   -4.443400      -1.583700       1.013900    
 H   -3.644700      0.9214000       1.503300    
 H   -2.309000      -1.767600       2.097300    
 H   -2.652200     -0.4826000      -1.975300    
 H   -5.708800      5.2999998E-03   2.196300    
 H   -6.394900      0.2563000      0.7433000    
 H   0.7444000      0.6444000      0.3516000    
 H    4.031200      -1.921300     -0.7398000    
 H   -3.231000       2.818200      -1.321700    
 H    5.819900       2.053600      0.3702000    


%chk=000005819-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005819

0 1
I 0.141968 -0.896551 -3.257650
I 0.617677 -2.445253 2.685832
I 6.696194 -0.229325 -0.530829
I 2.101893 3.633391 0.844061
O 1.442041 -1.761748 -0.390947
O -2.851590 2.060645 0.366535
O -4.542611 1.778591 -1.202072
O 5.040196 2.536160 0.295112
N -5.995033 0.682236 1.030055
C -4.249431 -1.018798 0.254652
C -4.569168 0.415016 0.851665
C -2.766358 -1.276629 0.067525
C -1.962780 -1.677117 1.164944
C -2.150307 -1.055827 -1.190287
C 0.055679 -1.566662 -0.232393
C -0.756170 -1.202749 -1.336550
C -0.569091 -1.820167 1.015289
C -4.023835 1.476217 -0.104046
C 2.307471 -0.646971 -0.206792
C 1.849509 0.639252 0.150259
C 3.678693 -0.907788 -0.400266
C 4.592012 0.147512 -0.234186
C 2.786618 1.677879 0.309291
C 4.176680 1.461766 0.121884
H -4.790906 -1.103037 -0.705522
H -4.689373 -1.751898 0.956596
H -4.047351 0.518140 1.818214
H -2.426633 -1.875221 2.136358
H -2.761824 -0.766789 -2.050938
H -6.473922 0.119552 1.734246
H -6.518595 0.828243 0.163393
H 0.784399 0.831634 0.300323
H 3.998785 -1.915380 -0.673250
H -2.513284 2.724836 -0.295972
H 5.983449 2.259239 0.137067


