%chk=000094543.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094543

0 1
 O   -4.859900      0.1052000      0.2614000    
 O   -7.483100       1.080700      0.3763000    
 C    3.984500      0.2527000      1.3200000E-02
 C    2.955000     -0.8586000     -0.2147000    
 C    5.432700     -0.2160000     -0.1423000    
 C    1.491000     -0.4686000      1.0400000E-02
 C    6.417000      0.9094000      0.1839000    
 C   0.5070000      -1.602500     -0.2877000    
 C    7.864200      0.4539000     -2.3000001E-03
 C  -0.9233000      -1.147800     -0.1409000    
 C    8.844200       1.579700      0.2876000    
 C   -1.568000      -1.258100       1.091100    
 C   -1.601600     -0.6164000      -1.237800    
 C   -2.890900     -0.8372000       1.226300    
 C   -2.924600     -0.1955000      -1.102800    
 C   -3.569200     -0.3060000      0.1293000    
 C   -5.290000       1.175000     -0.5789000    
 C   -6.385000       1.950100      0.1280000    
 H    3.787900       1.073200     -0.6876000    
 H    3.843900      0.6588000       1.022600    
 H    3.193600      -1.701200      0.4468000    
 H    3.068000      -1.230600      -1.241000    
 H    5.617400      -1.067300      0.5240000    
 H    5.593600     -0.5671000      -1.168600    
 H    1.258500      0.3964000     -0.6243000    
 H    1.365000     -0.1324000       1.047500    
 H    6.266300       1.243600       1.217600    
 H    6.217200       1.769900     -0.4663000    
 H   0.6969000      -2.451000      0.3818000    
 H   0.6660000      -1.981800      -1.305200    
 H    8.077100     -0.3906000      0.6634000    
 H    8.015400      0.1034000      -1.029900    
 H    8.679000       2.427000     -0.3855000    
 H    8.740700       1.934000       1.318200    
 H    9.872700       1.231800      0.1496000    
 H   -1.049300      -1.668700       1.953400    
 H   -1.110800     -0.5293000      -2.203600    
 H   -3.387800     -0.9249000       2.188600    
 H   -3.424500      0.1870000      -1.987800    
 H   -5.678200      0.7470000      -1.510300    
 H   -4.475500       1.876400     -0.7980000    
 H   -6.729200       2.786400     -0.4875000    
 H   -6.031100       2.326400       1.093000    
 H   -8.165100       1.605500      0.8290000    


%chk=000094543-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094543

0 1
O -4.860058 0.639332 0.506612
O -7.712070 0.438038 0.405698
C 4.065820 0.223610 0.051317
C 2.993043 -0.854813 -0.221655
C 5.512719 -0.301346 -0.089679
C 1.549658 -0.330699 -0.054686
C 6.584205 0.783575 0.161675
C 0.472892 -1.408528 -0.363747
C 8.032043 0.257302 0.031839
C -0.946587 -0.894265 -0.176291
C 9.094893 1.350909 0.274337
C -1.605091 -1.005310 1.078335
C -1.639069 -0.246633 -1.227624
C -2.899906 -0.490386 1.277310
C -2.939801 0.279774 -1.051119
C -3.570181 0.155111 0.210234
C -5.613628 1.312932 -0.568181
C -6.972460 1.648856 0.044028
H 3.915053 1.073845 -0.646340
H 3.922764 0.632604 1.073404
H 3.152946 -1.714044 0.463290
H 3.124437 -1.250453 -1.250951
H 5.668278 -1.141254 0.619586
H 5.651979 -0.724423 -1.106786
H 1.388900 0.540911 -0.721197
H 1.404582 0.039888 0.980364
H 6.441623 1.213342 1.175480
H 6.434540 1.619860 -0.553170
H 0.648929 -2.282516 0.294415
H 0.616992 -1.760463 -1.404693
H 8.183207 -0.573268 0.751382
H 8.171412 -0.178501 -0.978753
H 8.985718 2.177129 -0.453512
H 8.993867 1.782984 1.287997
H 10.120641 0.949450 0.178743
H -1.095941 -1.507429 1.910269
H -1.157428 -0.152087 -2.208995
H -3.407532 -0.578637 2.243098
H -3.441641 0.770621 -1.890447
H -5.735923 0.624377 -1.428200
H -5.080293 2.229387 -0.895348
H -7.600502 2.172469 -0.696358
H -6.827362 2.308301 0.925047
H -7.117967 -0.107651 0.983271


