%chk=000005755.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005755

0 1
 O    3.027400      0.1722000       1.990300    
 O  -9.0099998E-02  -1.809600      -1.699200    
 O    5.132900      0.3014000     -0.7019000    
 O    6.013200      -1.969000      0.4336000    
 O   -6.104800     -0.4832000       1.654100    
 C    1.894500      3.9900001E-02 -0.1886000    
 C   0.9244000       1.174000      0.2105000    
 C  -0.4500000       1.074400     -0.4680000    
 C   -1.117100     -0.2860000     -5.8600001E-02
 C    3.151000      0.4892000      0.6069000    
 C    1.254400      -1.292300      0.2504000    
 C    1.756300       2.438100      1.1000000E-02
 C  -0.1685000      -1.499700     -0.3150000    
 C   -2.586900     -0.4234000     -0.6228000    
 C    3.181500       2.024700      0.4331000    
 C   -1.334000       2.269900     -6.9499999E-02
 C    2.221400      1.8600000E-02  -1.707700    
 C   -2.751600       2.149000     -0.6146000    
 C   -3.357700      0.8325000     -0.2011000    
 C    4.427300     -0.1749000      0.1859000    
 C   -2.661700     -0.5393000      -2.162000    
 C   -3.241300      -1.681500     -7.0400000E-02
 C   -4.482400      0.8070000      0.5311000    
 C    4.789200      -1.453100      0.9123000    
 C   -4.359900      -1.713500      0.6604000    
 C   -5.067600     -0.4655000      0.9999000    
 H   0.7354000       1.105200       1.294800    
 H  -0.3257000       1.108800      -1.555100    
 H   -1.219400     -0.2444000       1.039700    
 H    1.184600      -1.335400       1.344200    
 H    1.892500      -2.127000     -6.1400000E-02
 H    1.391000       3.270600      0.6211000    
 H    1.745200       2.764600      -1.034900    
 H  -0.5833000      -2.385700      0.1785000    
 H    3.888100       2.365400     -0.3311000    
 H    3.448700       2.529800       1.368600    
 H  -0.8937000       3.202400     -0.4420000    
 H   -1.372700       2.355000       1.024700    
 H    1.331500      3.0000000E-03  -2.339200    
 H    2.799800      0.8917000      -2.027000    
 H    2.811500     -0.8693000      -1.962400    
 H   -2.745200       2.230400      -1.707500    
 H   -3.345200       2.995800     -0.2491000    
 H   -2.354500      -1.527500      -2.521400    
 H   -3.689700     -0.3926000      -2.519300    
 H   -2.037700      0.2015000      -2.670900    
 H   -2.779100      -2.636400     -0.3107000    
 H    3.710800      0.6609000       2.480400    
 H   0.4693000      -2.598900      -1.795700    
 H   -4.996600       1.717400      0.8207000    
 H    4.018500      -2.206700      0.7440000    
 H    4.908700      -1.277900       1.984100    
 H   -4.778900      -2.650000       1.009800    
 H    6.710200      -1.330600      0.6626000    


%chk=000005755-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005755

0 1
O 2.875062 0.248445 2.083735
O -0.178854 -1.916872 -1.624086
O 5.191991 0.119976 -0.684728
O 5.965453 -2.157527 0.488363
O -6.062586 -0.730832 1.770098
C 1.892357 0.039674 -0.162681
C 0.934442 1.228819 0.169787
C -0.443865 1.117130 -0.513126
C -1.109766 -0.225705 -0.072016
C 3.171058 0.519019 0.655013
C 1.236144 -1.261829 0.348642
C 1.797846 2.488791 -0.074870
C -0.199376 -1.477723 -0.207204
C -2.578507 -0.390066 -0.678943
C 3.236814 2.050859 0.356669
C -1.337834 2.313898 -0.095507
C 2.247662 -0.050335 -1.670083
C -2.815450 2.173545 -0.551698
C -3.373526 0.817070 -0.171912
C 4.451783 -0.230664 0.279436
C -2.611410 -0.395233 -2.248894
C -3.177109 -1.709412 -0.230208
C -4.487443 0.682961 0.612635
C 4.841750 -1.470605 1.086696
C -4.294863 -1.823353 0.541842
C -5.025438 -0.628772 1.031952
H 0.753171 1.166712 1.265049
H -0.315092 1.127593 -1.613433
H -1.269251 -0.137270 1.027138
H 1.182334 -1.220302 1.452294
H 1.843602 -2.155057 0.088570
H 1.439318 3.356246 0.505216
H 1.779349 2.776588 -1.142590
H -0.657063 -2.293414 0.393189
H 3.978812 2.237060 -0.438214
H 3.583146 2.599308 1.254262
H -0.918424 3.255068 -0.499123
H -1.315585 2.397304 1.011113
H 1.334592 -0.167549 -2.273541
H 2.802447 0.834508 -2.024643
H 2.888888 -0.928597 -1.870020
H -2.864978 2.306755 -1.651184
H -3.426565 2.977595 -0.103235
H -2.086476 -1.281557 -2.633022
H -3.661376 -0.405908 -2.592141
H -2.119825 0.496002 -2.673422
H -2.678412 -2.608524 -0.616458
H 3.375792 0.896457 2.640780
H 0.519417 -2.612706 -1.723272
H -5.034504 1.563456 0.972694
H 3.973711 -2.154074 1.161780
H 5.083879 -1.157705 2.123821
H -4.709278 -2.798560 0.823242
H 6.296039 -1.580692 -0.258162


