%chk=000028809.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028809

0 1
 O    3.203500      -1.197900     -0.9873000    
 O   -5.175400       1.829600      0.6653000    
 O   -5.972900      1.2600000E-02 -0.4717000    
 C  -0.9127000     -0.5376000      0.2678000    
 C   0.4846000      -1.041700     -8.5800000E-02
 C   -1.222900      0.7820000     -0.4514000    
 C   -1.976200      -1.598800     -6.7900002E-02
 C    1.530700      3.4100000E-02  0.2419000    
 C   -2.602700       1.318100     -5.4900002E-02
 C   0.7698000      -2.344100      0.6664000    
 C   -3.379800      -1.064400     -3.8500000E-02
 C   -3.651200      0.2483000     -1.9700000E-02
 C    2.956100     -0.3667000     -0.1151000    
 C    4.049900      0.2655000      0.7360000    
 C    5.367200      0.4960000     -1.9400001E-02
 C   -5.058900      0.6525000      1.5799999E-02
 C    5.170500       1.438400      -1.209700    
 C    6.420300       1.074000      0.9280000    
 H  -0.9571000     -0.3443000       1.350100    
 H   0.5369000      -1.257900      -1.161400    
 H   -1.183600      0.6336000      -1.538500    
 H  -0.5110000       1.574200     -0.2069000    
 H   -1.925800      -2.416300      0.6605000    
 H   -1.797200      -2.031100      -1.060100    
 H    1.493300      0.2670000       1.312700    
 H    1.371000      0.9577000     -0.3199000    
 H   -2.884600       2.107700     -0.7619000    
 H   -2.532600       1.779200      0.9386000    
 H    1.799300      -2.685300      0.5239000    
 H   0.1332000      -3.162400      0.3159000    
 H   0.6126000      -2.223900       1.744000    
 H   -4.176900      -1.803200     -3.2699998E-02
 H    4.208200     -0.3907000       1.599500    
 H    3.679200       1.226400       1.113500    
 H    5.736100     -0.4643000     -0.4007000    
 H    4.773000       2.407000     -0.8875000    
 H    6.122500       1.618600      -1.720600    
 H    4.479900       1.017700      -1.946900    
 H    7.374500       1.215200      0.4094000    
 H    6.596000      0.3977000       1.771300    
 H    6.106400       2.043200       1.330200    
 H   -6.106400       2.135500      0.7100000    


%chk=000028809-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028809

0 1
O 3.147783 -0.930875 -1.130914
O -5.339355 2.039320 -0.026729
O -6.161259 -0.127134 0.108910
C -0.943082 -0.530255 0.312904
C 0.498066 -1.061545 0.033327
C -1.296990 0.717956 -0.538461
C -2.021960 -1.616374 0.057204
C 1.574900 -0.066307 0.530985
C -2.660594 1.325948 -0.137537
C 0.764414 -2.449458 0.668295
C -3.430462 -1.074846 0.043330
C -3.733443 0.256414 -0.019936
C 2.971141 -0.284455 -0.062868
C 4.138978 0.329674 0.714955
C 5.420367 0.573369 -0.117590
C -5.168405 0.639927 0.026912
C 5.201808 1.707530 -1.146706
C 6.618212 0.882852 0.808969
H -1.004696 -0.242712 1.386630
H 0.624486 -1.162804 -1.064944
H -1.323880 0.419166 -1.606566
H -0.518711 1.498377 -0.447508
H -1.957941 -2.416941 0.819622
H -1.822844 -2.121520 -0.914789
H 1.646970 -0.086382 1.638443
H 1.303440 0.980236 0.274197
H -2.976806 2.086552 -0.874084
H -2.572992 1.866799 0.826661
H 1.808748 -2.759593 0.487348
H 0.117835 -3.233559 0.238245
H 0.592521 -2.426166 1.762579
H -4.260819 -1.792942 0.096928
H 4.358574 -0.375222 1.548144
H 3.801212 1.267215 1.203485
H 5.629101 -0.358431 -0.679116
H 4.973263 2.664307 -0.636970
H 6.108921 1.861091 -1.759507
H 4.370034 1.467510 -1.832276
H 7.539344 1.047171 0.219946
H 6.811242 0.052533 1.514567
H 6.433823 1.798501 1.404301
H -6.314144 2.236273 0.011915


