%chk=000005870.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005870

0 1
 O   -4.940100      -1.174400     -0.2620000    
 O    5.857100     -0.1348000      0.3533000    
 C   -1.999800      0.6758000     -0.3013000    
 C   -2.643300     -0.5947000      0.2927000    
 C  -0.5246000      0.7795000      8.2000002E-02
 C   0.2261000     -0.4418000     -0.5345000    
 C   -1.975300      -1.803000     -0.3543000    
 C   -2.967800       1.793000      7.0699997E-02
 C  -0.4498000      -1.782900     -0.1358000    
 C   0.1301000       2.068300     -0.4172000    
 C   -4.081900     -0.3164000     -0.1039000    
 C   -4.337200       1.174600     -0.2489000    
 C   -2.626300     -0.7077000       1.828700    
 C    1.725300     -0.3650000     -0.2600000    
 C    1.558400       2.162400      0.1119000    
 C    2.343200      0.8780000     -3.0000001E-04
 C    2.540500      -1.507600     -0.3458000    
 C    3.731400      0.9386000      0.2152000    
 C    3.919500      -1.432000     -0.1378000    
 C    4.514700     -0.2099000      0.1471000    
 H   -2.037900      0.6094000      -1.402600    
 H  -0.4260000      0.7606000       1.175000    
 H   0.1354000     -0.3677000      -1.629500    
 H   -2.183700      -1.816800      -1.432300    
 H   -2.391900      -2.736600      4.3000001E-02
 H   -2.804500       2.704100     -0.5132000    
 H   -2.892400       2.058400       1.130700    
 H  -0.2251000      -2.009500      0.9137000    
 H  -2.9600000E-02  -2.607500     -0.7233000    
 H  -0.4271000       2.951400     -8.5699998E-02
 H   0.1360000       2.087200      -1.514600    
 H   -4.632200       1.383600      -1.281200    
 H   -5.104200       1.511500      0.4517000    
 H   -1.614700     -0.7587000       2.239800    
 H   -3.137500      0.1296000       2.315400    
 H   -3.152100      -1.616400       2.146700    
 H    1.527800       2.445100       1.172100    
 H    2.078600       2.963800     -0.4268000    
 H    2.121300      -2.480700     -0.5836000    
 H    4.196400       1.897300      0.4363000    
 H    4.521800      -2.334100     -0.2046000    
 H    6.097100      0.7897000      0.5371000    


%chk=000005870-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000005870

0 1
O -5.002390 -1.270094 -0.323752
O 5.954485 -0.227658 0.313408
C -2.013469 0.701869 -0.308206
C -2.663774 -0.602181 0.248390
C -0.528232 0.810053 0.073339
C 0.220684 -0.423427 -0.528640
C -1.961509 -1.827256 -0.371248
C -3.021898 1.820488 0.067991
C -0.430864 -1.774643 -0.104604
C 0.150537 2.103760 -0.423404
C -4.142010 -0.379807 -0.123018
C -4.397904 1.144234 -0.201993
C -2.654633 -0.694313 1.809781
C 1.733062 -0.348342 -0.256333
C 1.582642 2.202037 0.138327
C 2.370313 0.897779 0.018273
C 2.549500 -1.509720 -0.329805
C 3.773586 0.944945 0.210098
C 3.942932 -1.466902 -0.139069
C 4.557292 -0.225723 0.133489
H -2.049963 0.612251 -1.420259
H -0.432660 0.784063 1.180141
H 0.081694 -0.344062 -1.633171
H -2.145833 -1.835742 -1.464631
H -2.385016 -2.767574 0.028696
H -2.885410 2.735258 -0.533964
H -2.919653 2.108014 1.131241
H -0.217304 -1.962277 0.966064
H 0.038349 -2.606787 -0.661940
H -0.429344 2.993951 -0.112997
H 0.173116 2.099992 -1.532605
H -4.771535 1.371918 -1.219248
H -5.200600 1.436684 0.498738
H -1.627995 -0.779780 2.202940
H -3.125659 0.182501 2.289333
H -3.216781 -1.592758 2.122038
H 1.526914 2.483844 1.211046
H 2.137930 3.018069 -0.363710
H 2.091627 -2.480404 -0.544614
H 4.251416 1.913437 0.418524
H 4.559486 -2.368347 -0.199298
H 6.284570 0.686349 0.498551


