%chk=000055392.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055392

0 1
 O   -5.916600     -0.7544000      0.2557000    
 O    5.915900      0.7383000     -0.1345000    
 C  -0.4518000      0.6425000      5.6299999E-02
 C   0.4432000     -0.6412000     -0.1134000    
 C  -6.4800002E-02   1.490200       1.294900    
 C   8.2400002E-02  -1.457700      -1.380400    
 C   -1.935100      0.2737000      9.4300002E-02
 C    1.928400     -0.2785000     -0.1039000    
 C   -2.781600      0.7505000     -0.8815000    
 C    2.746300     -0.7781000      0.8849000    
 C  -0.8202000       2.812800       1.394700    
 C   0.9081000      -2.730600      -1.547400    
 C   -2.369100     -0.5343000       1.122400    
 C    2.393100      0.5486000      -1.103100    
 C   -4.131300      0.4022000     -0.8271000    
 C    4.098000     -0.4337000      0.8748000    
 C   -2.302400       1.626000      -1.992400    
 C    2.233800      -1.674000       1.964200    
 C   -3.718600     -0.8828000       1.176900    
 C    3.744800      0.8930000      -1.113300    
 C   -4.599800     -0.4145000      0.2022000    
 C    4.597200      0.4019000     -0.1244000    
 H  -0.2436000       1.282900     -0.8051000    
 H   0.2137000      -1.301700      0.7266000    
 H    1.000800       1.741500       1.263300    
 H  -0.2166000      0.9227000       2.220600    
 H  -0.9707000      -1.758500      -1.342600    
 H   0.1942000     -0.8443000      -2.282400    
 H  -0.6766000       3.414700      0.4920000    
 H   -1.892700       2.658400       1.544300    
 H  -0.4483000       3.391200       2.246700    
 H   0.8230000      -3.371400     -0.6644000    
 H   0.5443000      -3.298800      -2.409800    
 H    1.965800      -2.513300      -1.721500    
 H   -1.702600     -0.9055000       1.894100    
 H    1.748700      0.9378000      -1.884600    
 H   -4.827100      0.7614000      -1.581500    
 H    4.771500     -0.8106000       1.640600    
 H   -1.551600       1.111900      -2.601100    
 H   -3.121300       1.895600      -2.669300    
 H   -1.895600       2.565300      -1.605200    
 H    3.032400      -1.958600       2.659000    
 H    1.466800      -1.169700       2.561000    
 H    1.836400      -2.604600       1.547200    
 H   -4.071300      -1.518600       1.984500    
 H    4.121700       1.543800      -1.897700    
 H   -6.064000      -1.322600       1.031300    
 H    6.086500       1.321400     -0.8940000    


%chk=000055392-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000055392

0 1
O -6.071076 -0.749446 0.149789
O 6.076070 0.756452 -0.171956
C -0.450650 0.643904 0.080353
C 0.455598 -0.637317 -0.104082
C -0.063080 1.436660 1.364092
C 0.068627 -1.430316 -1.387789
C -1.942141 0.285746 0.077255
C 1.947117 -0.278826 -0.100463
C -2.847596 0.757375 -0.925370
C 2.851965 -0.748855 0.903501
C -0.791729 2.792010 1.490227
C 0.797975 -2.785337 -1.513497
C -2.455962 -0.543439 1.106013
C 2.461666 0.548434 -1.130389
C -4.212808 0.389893 -0.862209
C 4.217191 -0.381355 0.840688
C -2.386185 1.647342 -2.070213
C 2.389918 -1.637175 2.049379
C -3.815337 -0.913127 1.170211
C 3.821079 0.918023 -1.194329
C -4.696747 -0.437518 0.173068
C 4.701795 0.444315 -0.195678
H -0.242399 1.308139 -0.781622
H 0.247340 -1.301529 0.757937
H 1.029647 1.608232 1.358414
H -0.281298 0.816348 2.257511
H -1.024003 -1.602352 -1.382345
H 0.286690 -0.810103 -2.281336
H -0.552451 3.449355 0.632048
H -1.888337 2.659175 1.520412
H -0.486953 3.322133 2.411211
H 0.559786 -3.442169 -0.654594
H 0.492857 -3.316443 -2.433805
H 1.894480 -2.651888 -1.544591
H -1.777147 -0.913305 1.883732
H 1.783435 0.916534 -1.909455
H -4.921212 0.741315 -1.619342
H 4.925082 -0.731409 1.598929
H -1.615160 1.150031 -2.688540
H -3.230374 1.905083 -2.731657
H -1.946932 2.593058 -1.701224
H 3.233579 -1.893180 2.712167
H 1.617820 -1.139481 2.666027
H 1.951802 -2.583843 1.681447
H -4.179122 -1.557350 1.981436
H 4.185426 1.560737 -2.006502
H -6.308687 -1.331153 0.913775
H 6.314139 1.336923 -0.936738


