%chk=000004789.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004789

0 1
 O   0.6687000       1.341500     -0.4572000    
 O    2.016600      0.5063000       1.273300    
 O  -0.3781000       4.653800       1.794400    
 O  -0.7569000       4.671600      -1.069300    
 O  -0.2174000       1.894900       2.170200    
 O   8.9299999E-02   1.069400      -3.130500    
 O    2.336900      -3.947000     -0.4881000    
 O   0.9562000      -2.549300       2.264600    
 O    5.644100     -0.6941000      -1.571800    
 O   -6.507700      -1.046600      -1.324000    
 C   0.3873000       3.858400      0.8934000    
 C  -0.4780000       3.494500     -0.3157000    
 C   0.8901000       2.600300       1.601100    
 C   0.2511000       2.483800      -1.211900    
 C    1.576900       1.678600      0.5939000    
 C  -0.6464000       1.985500      -2.340200    
 C    2.656400     -0.4386000      0.5172000    
 C    2.146600      -1.729300      0.4099000    
 C    3.829000     -8.6700000E-02 -0.1455000    
 C   0.9175000      -2.093100       1.105800    
 C    2.814900      -2.676200     -0.3664000    
 C  -0.4398000      -1.913500      0.4054000    
 C    4.497300      -1.033600     -0.9219000    
 C   -1.591900      -1.651000       1.377900    
 C    3.990200      -2.328300      -1.032300    
 C   -2.904700      -1.489600      0.6559000    
 C   -3.303700     -0.2279000      0.2405000    
 C   -3.693700      -2.605600      0.4189000    
 C   -4.519500     -7.8800000E-02 -0.4271000    
 C   -4.909200      -2.456400     -0.2487000    
 C   -5.322200      -1.193000     -0.6717000    
 H    1.235400       4.474000      0.5709000    
 H   -1.438800       3.092400      2.9300001E-02
 H    1.554200       2.855000       2.433400    
 H    1.141600       2.940200      -1.665300    
 H    2.442100       2.205300      0.1711000    
 H   -1.517800       1.456700      -1.941000    
 H  -0.9821000       2.802100      -2.985200    
 H   -1.107800       4.104600       2.129000    
 H   -1.481500       4.467400      -1.683900    
 H  -0.7258000       1.492900       1.446300    
 H  -0.5038000      0.7566000      -3.834700    
 H    4.247000      0.9119000     -5.3300001E-02
 H  -0.3602000      -1.090300     -0.3127000    
 H  -0.6277000      -2.829400     -0.1683000    
 H   -1.381400     -0.7575000       1.978700    
 H   -1.671700      -2.472000       2.102300    
 H    4.512100      -3.065300      -1.638000    
 H   -2.685500      0.6458000      0.4238000    
 H   -3.379800      -3.593800      0.7428000    
 H    2.931400      -4.457200      -1.064500    
 H    5.971200      -1.469000      -2.060300    
 H   -4.834900      0.9079000     -0.7551000    
 H   -5.525100      -3.332400     -0.4338000    
 H   -6.931100      -1.918300      -1.407200    


%chk=000004789-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000004789

0 1
O 0.546463 1.323641 -0.883747
O 1.752845 0.470648 0.924372
O -0.804241 4.522560 1.546995
O -1.304325 4.529374 -1.332094
O -0.379108 1.857681 1.958279
O 0.111015 1.205080 -3.687827
O 2.688072 -4.169342 0.237714
O 1.027825 -2.708348 2.448893
O 5.691687 -0.745186 -1.651081
O -6.334463 -0.288843 -1.310135
C 0.027276 3.779716 0.594488
C -0.825873 3.346388 -0.619201
C 0.702431 2.576685 1.276699
C 0.018737 2.521627 -1.605044
C 1.415590 1.691193 0.230379
C -0.766289 1.960316 -2.791722
C 2.580748 -0.494313 0.282609
C 2.221277 -1.840087 0.524839
C 3.731340 -0.127213 -0.438960
C 0.964811 -2.184790 1.306618
C 3.082613 -2.844238 0.017521
C -0.354214 -1.880684 0.605746
C 4.555667 -1.156143 -0.940618
C -1.589611 -1.938097 1.537427
C 4.245298 -2.518649 -0.720557
C -2.861354 -1.529384 0.809032
C -3.122480 -0.161248 0.522614
C -3.800174 -2.492822 0.367388
C -4.277259 0.233755 -0.180712
C -4.963927 -2.115397 -0.341214
C -5.198747 -0.747637 -0.614686
H 0.789401 4.501674 0.248250
H -1.673228 2.728489 -0.253770
H 1.453905 2.921502 2.016113
H 0.872696 3.129356 -1.975868
H 2.315314 2.217887 -0.161651
H -1.600512 1.330972 -2.415392
H -1.175572 2.790539 -3.386276
H -1.267995 3.844411 2.109479
H -1.692494 5.140810 -0.651974
H -0.015986 1.011818 2.326192
H 0.552138 0.501062 -3.145377
H 4.023514 0.911982 -0.603999
H -0.278434 -0.898152 0.102703
H -0.461433 -2.621918 -0.215676
H -1.408364 -1.270928 2.402790
H -1.681256 -2.956727 1.953859
H 4.889899 -3.311625 -1.122547
H -2.411650 0.602283 0.864373
H -3.624868 -3.554094 0.581491
H 3.349054 -4.810152 -0.123429
H 6.226766 -1.518072 -1.958557
H -4.488183 1.285999 -0.396416
H -5.680397 -2.879449 -0.671195
H -6.914047 -1.046310 -1.572738


