%chk=000135434.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135434

0 1
 O    1.016400      -1.016200       3.087700    
 O    4.015900      0.1985000      -1.026800    
 O   -4.698000      0.4358000     -2.6000001E-02
 O   -2.798400      0.2079000       1.263900    
 C   0.8019000      -2.181800       2.281600    
 C    2.164000      -1.568400       2.429600    
 C  -1.5100000E-02  -1.947100       1.068200    
 C   0.3586000      -2.895500     -7.9200000E-02
 C    2.778000     -0.9307000       1.250100    
 C  -0.5192000      -2.675600      -1.311700    
 C  -0.1135000      -3.603800      -2.456200    
 C    2.737600      0.3798000      0.9708000    
 C    2.538900       2.771100      -1.736500    
 C    1.077200       2.305600      -1.755000    
 C    3.302400       2.423200     -0.4579000    
 C   0.2283000       2.921700     -0.6404000    
 C    3.412700      0.9248000     -0.2399000    
 C   -1.212000       2.396700     -0.6152000    
 C  -0.9627000      -3.364800      -3.694700    
 C   -2.084600       2.908400      0.5358000    
 C   -3.523100       2.395500      0.4843000    
 C   -3.597400      0.8938000      0.6416000    
 C   -4.907700     -0.9788000      2.6100000E-02
 H   0.5921000      -3.117600       2.781200    
 H    2.875800      -2.091400       3.058800    
 H   -1.067600      -2.110200       1.331300    
 H   4.8799999E-02 -0.9073000      0.7251000    
 H   0.2570000      -3.933600      0.2620000    
 H    1.409900      -2.763100     -0.3552000    
 H    3.316300      -1.605000      0.5892000    
 H  -0.4342000      -1.631800      -1.638400    
 H   -1.570500      -2.847600      -1.050900    
 H   0.9412000      -3.444900      -2.709400    
 H  -0.2182000      -4.649100      -2.142700    
 H    2.218200       1.074400       1.621300    
 H    1.038100       1.211900      -1.686900    
 H   0.6388000       2.571100      -2.724900    
 H    3.052000       2.324400      -2.597200    
 H    2.571200       3.857800      -1.881300    
 H    2.861200       2.914100      0.4146000    
 H    4.327000       2.809100     -0.5284000    
 H   0.6739000       2.708600      0.3363000    
 H   0.2143000       4.012500     -0.7519000    
 H   -1.693000       2.657500      -1.566600    
 H   -1.174000       1.301100     -0.5806000    
 H   -2.021800      -3.544400      -3.484500    
 H  -0.6568000      -4.039800      -4.500100    
 H  -0.8529000      -2.336300      -4.053100    
 H   -2.103300       4.004600      0.5069000    
 H   -1.622600       2.625400       1.489600    
 H   -3.971500       2.684400     -0.4733000    
 H   -4.112900       2.846000       1.289600    
 H   -5.808000      -1.210900     -0.5488000    
 H   -5.058400      -1.301000       1.060800    
 H   -4.059100      -1.504200     -0.4226000    


%chk=000135434-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000135434

0 1
O 1.631128 -0.972775 3.190067
O 4.691994 0.708837 -0.732181
O -4.864191 0.097189 -0.475967
O -2.916153 -0.259040 0.745022
C 1.197884 -2.042523 2.217828
C 2.670062 -1.659840 2.334022
C 0.310888 -1.643364 1.058889
C 0.207722 -2.777658 0.007420
C 3.369307 -0.838552 1.321535
C -0.706293 -2.396690 -1.178461
C -0.878659 -3.535734 -2.208182
C 3.108205 0.479929 1.079997
C 2.708137 2.972845 -1.500984
C 1.323450 2.287857 -1.618528
C 3.456214 2.723123 -0.156840
C 0.288979 2.741697 -0.562203
C 3.822520 1.248178 0.022267
C -1.121657 2.158582 -0.806000
C -1.799862 -3.143175 -3.383948
C -2.122530 2.544990 0.306708
C -3.559221 2.040370 0.055818
C -3.696433 0.529375 0.161943
C -5.139343 -1.358848 -0.408301
H 0.919065 -2.983088 2.719872
H 3.306020 -2.359873 2.895657
H -0.698482 -1.390595 1.436320
H 0.706449 -0.727649 0.582082
H -0.185766 -3.697020 0.490000
H 1.220185 -3.028252 -0.371634
H 4.155527 -1.332265 0.730683
H -0.288935 -1.502501 -1.688065
H -1.697054 -2.093999 -0.783479
H 0.115836 -3.831159 -2.600375
H -1.289480 -4.430746 -1.697118
H 2.358933 0.998362 1.690052
H 1.445024 1.186234 -1.560987
H 0.918493 2.499654 -2.629480
H 3.363343 2.620868 -2.320823
H 2.585699 4.067044 -1.629873
H 2.855703 3.086886 0.695902
H 4.400112 3.300800 -0.179795
H 0.626300 2.440294 0.450342
H 0.233344 3.850918 -0.555870
H -1.500842 2.513545 -1.787469
H -1.054470 1.054093 -0.869799
H -2.810577 -2.871029 -3.021886
H -1.912638 -3.971027 -4.107931
H -1.395027 -2.269378 -3.928349
H -2.153510 3.648575 0.403604
H -1.762319 2.145954 1.274413
H -3.934861 2.355282 -0.935054
H -4.254802 2.478449 0.800245
H -6.114926 -1.483180 -0.898430
H -5.173599 -1.695875 0.641374
H -4.353694 -1.919295 -0.943948


