%chk=000021867.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021867

0 1
 O    2.745000      0.1138000     -0.7204000    
 O    1.707400     -0.8888000       1.134100    
 O    5.430300       1.111800     -0.8330000    
 C    1.581900     -0.5991000     -0.2682000    
 C   0.3570000      0.2781000     -0.4935000    
 C  -0.9264000     -0.4300000     -5.9799999E-02
 C    3.686500     -1.5200000E-02  0.3486000    
 C    2.804900     -8.6199999E-02   1.571700    
 C   -2.150900      0.4669000     -0.2562000    
 C    1.469100      -1.914200      -1.028900    
 C   -3.437900     -0.2584000      0.1429000    
 C    4.650100       1.152100      0.3524000    
 C   -4.703700      0.5686000     -0.1008000    
 C   -5.994000     -0.1832000      0.2289000    
 C   -7.219300      0.6839000     -1.7600000E-02
 H   0.4645000       1.209900      7.6800004E-02
 H   0.2926000      0.5731000      -1.548500    
 H   -1.079700      -1.341100     -0.6477000    
 H  -0.8627000     -0.7257000      0.9939000    
 H    4.220900     -0.9599000      0.1889000    
 H    2.412900      0.8947000       1.863000    
 H    3.296400     -0.5474000       2.432300    
 H   -2.215900      0.7740000      -1.307100    
 H   -2.043700       1.379500      0.3421000    
 H    1.253400      -1.746500      -2.089300    
 H   0.7189000      -2.586000     -0.6013000    
 H    2.421800      -2.455800     -0.9857000    
 H   -3.513500      -1.194800     -0.4240000    
 H   -3.386700     -0.5342000       1.203500    
 H    4.112500       2.105900      0.3633000    
 H    5.321600       1.103500       1.215100    
 H   -4.651800       1.485100      0.5000000    
 H   -4.729900      0.8813000      -1.152300    
 H   -6.062600      -1.089400     -0.3838000    
 H   -5.980400     -0.5001000       1.278000    
 H   -7.194800       1.583900      0.6050000    
 H   -7.277100      0.9923000      -1.066300    
 H   -8.130900      0.1285000      0.2239000    
 H    6.038000       1.870200     -0.8013000    


%chk=000021867-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021867

0 1
O 2.784324 0.079164 -0.720597
O 1.811517 -0.967393 1.183505
O 5.666553 1.152279 -0.656429
C 1.619128 -0.739514 -0.284889
C 0.361319 0.109646 -0.538097
C -0.967328 -0.596843 -0.193154
C 3.773568 0.085575 0.385820
C 2.867649 -0.042648 1.627367
C -2.179498 0.356460 -0.292562
C 1.636210 -2.111369 -0.961580
C -3.527577 -0.341477 -0.003719
C 4.594735 1.365747 0.324665
C -4.739558 0.614758 -0.075723
C -6.089952 -0.086605 0.197216
C -7.294060 0.878059 0.133000
H 0.458599 1.035520 0.062087
H 0.366284 0.416202 -1.602661
H -1.127999 -1.456452 -0.874458
H -0.902400 -1.008556 0.833637
H 4.449028 -0.788908 0.297366
H 2.440474 0.941984 1.914490
H 3.363864 -0.505757 2.495154
H -2.211567 0.809166 -1.306200
H -2.042189 1.197619 0.418797
H 1.418275 -2.009733 -2.038750
H 0.883729 -2.775747 -0.504206
H 2.629660 -2.574814 -0.843085
H -3.672373 -1.171536 -0.726667
H -3.489203 -0.809491 1.002285
H 3.925197 2.202131 0.037641
H 5.028721 1.572443 1.328310
H -4.601514 1.438515 0.655797
H -4.772409 1.092217 -1.077746
H -6.229620 -0.905173 -0.538188
H -6.053887 -0.569117 1.195441
H -7.190994 1.688940 0.878825
H -7.371099 1.349767 -0.865045
H -8.246612 0.353542 0.333136
H 6.054805 2.022497 -0.922083


