%chk=000002064.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002064

0 1
 O    2.912900       2.457500     -0.3860000    
 O    5.626700      -2.299000      0.2520000    
 O   -5.623100     -0.3965000     -0.8671000    
 O   -5.599900      0.3294000       1.317300    
 N   0.6273000     -9.6199997E-02 -0.2535000    
 C    1.515500      0.2693000      0.8063000    
 C    2.945500      0.1770000      0.3511000    
 C  -0.7765000     -7.1699999E-02 -0.1191000    
 C    3.572400       1.276500     -0.2222000    
 C    3.625600      -1.024200      0.5131000    
 C   -1.355200      0.3216000       1.087600    
 C   -1.586200     -0.4423000      -1.192600    
 C   -3.553100     -2.6300000E-02  0.1472000    
 C    4.952600      -1.126900      9.5399998E-02
 C    4.899300       1.173800     -0.6399000    
 C   -2.743500      0.3442000       1.220800    
 C   -2.974500     -0.4196000      -1.059700    
 C    5.589400     -2.8100001E-02 -0.4811000    
 C   -5.000700     -3.8000001E-03  0.2863000    
 C   -7.054600     -0.4148000     -0.8558000    
 H    1.376800     -0.3921000       1.671900    
 H    1.313000       1.287400       1.162000    
 H    1.000500     -0.3938000      -1.148700    
 H    3.134400      -1.884800      0.9597000    
 H  -0.7634000      0.6159000       1.949000    
 H   -1.147100     -0.7510000      -2.137900    
 H    5.407700       2.021900      -1.090700    
 H   -3.174400      0.6532000       2.169600    
 H   -3.564800     -0.7166000      -1.921900    
 H    6.622900     -9.5200002E-02 -0.8104000    
 H    3.512500       3.101200     -0.8009000    
 H    6.530600      -2.190700     -9.0700001E-02
 H   -7.398700     -0.7467000      -1.838800    
 H   -7.442900      0.5903000     -0.6669000    
 H   -7.416500      -1.117500     -9.9500000E-02


%chk=000002064-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002064

0 1
O 2.876264 2.470458 -0.350539
O 5.710403 -2.359231 0.266969
O -5.738213 -0.401302 -0.926369
O -5.697067 0.342923 1.285324
N 0.631709 -0.129226 -0.217822
C 1.562312 0.269191 0.854970
C 3.000706 0.174621 0.378944
C -0.748872 -0.089742 -0.101354
C 3.640264 1.291538 -0.228252
C 3.730904 -1.023893 0.524159
C -1.390143 0.317883 1.111503
C -1.569461 -0.470736 -1.212398
C -3.601250 -0.040649 0.094814
C 5.068088 -1.120372 0.075879
C 4.977544 1.200825 -0.673558
C -2.789659 0.338376 1.197602
C -2.965061 -0.445839 -1.113494
C 5.696499 -0.006096 -0.524141
C -5.068225 0.001139 0.248144
C -7.213322 -0.387871 -0.837776
H 1.421308 -0.388419 1.737499
H 1.343945 1.308090 1.169159
H 1.041964 -0.412318 -1.107509
H 3.269170 -1.898777 0.992622
H -0.791721 0.616532 1.977068
H -1.090930 -0.784444 -2.148659
H 5.466638 2.067251 -1.136004
H -3.286260 0.649379 2.123128
H -3.585132 -0.738024 -1.965599
H 6.735277 -0.067423 -0.871335
H 3.405766 3.194866 -0.765493
H 6.640784 -2.331454 -0.067139
H -7.557397 -0.719777 -1.827812
H -7.577527 0.628594 -0.610396
H -7.558804 -1.074675 -0.046234


