%chk=000005757.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005757

0 1
 O    5.061400       1.150100      0.2674000    
 O   -5.857500      0.1485000      0.4388000    
 C    2.664200      0.5840000      0.1481000    
 C    1.983900     -0.6954000     -0.3789000    
 C   0.5151000     -0.7803000      3.5300002E-02
 C  -0.2462000      0.4358000     -0.5745000    
 C    4.094800      0.3353000     -0.3668000    
 C    1.955400       1.792600     -0.4751000    
 C    2.944000      -1.805900      3.8300000E-02
 C   0.4403000       1.775800     -0.1954000    
 C    4.336500      -1.161200     -8.7600000E-02
 C  -0.1545000      -2.072800     -0.4353000    
 C    2.665300      0.7312000       1.691400    
 C   -1.739500      0.3642000     -0.2672000    
 C   -1.568700      -2.158900      0.1309000    
 C   -2.353500     -0.8743000      2.1800000E-02
 C   -2.555200       1.506500     -0.3511000    
 C   -3.736600     -0.9297000      0.2693000    
 C   -3.929400       1.435800     -0.1121000    
 C   -4.519800      0.2188000      0.2029000    
 H    2.004000     -0.6750000      -1.481600    
 H   0.4403000     -0.7504000       1.130000    
 H  -0.1782000      0.3544000      -1.670600    
 H    4.153400      0.5204000      -1.446900    
 H    2.105300       1.793800      -1.562700    
 H    2.388100       2.729700     -0.1046000    
 H    2.855300      -2.687800     -0.6042000    
 H    2.763100      -2.127500       1.069900    
 H   0.2521000       2.002900      0.8608000    
 H   6.9999998E-04   2.601400     -0.7671000    
 H    4.923400      -1.321500      0.8238000    
 H    4.900800      -1.610200     -0.9125000    
 H   0.4101000      -2.954000     -0.1110000    
 H  -0.1885000      -2.101300      -1.532100    
 H    3.167600       1.658900       1.989600    
 H    1.657700      0.7696000       2.113500    
 H    3.188000     -9.1200002E-02   2.190000    
 H   -1.511900      -2.428500       1.193400    
 H   -2.103300      -2.965800     -0.3847000    
 H    5.935600      0.8680000     -5.1600002E-02
 H   -2.140500       2.475500     -0.6118000    
 H   -4.204400      -1.881300      0.5136000    
 H   -4.526100       2.341600     -0.1803000    
 H   -6.240800       1.038000      0.3488000    


%chk=000005757-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005757

0 1
O 5.080844 1.258569 0.246778
O -5.947129 0.120588 0.402227
C 2.684416 0.589056 0.139526
C 1.995818 -0.712759 -0.382883
C 0.517851 -0.799094 0.031073
C -0.238124 0.427906 -0.570622
C 4.123685 0.335217 -0.380208
C 1.956606 1.806105 -0.476942
C 2.977703 -1.850169 0.011997
C 0.432634 1.775970 -0.173421
C 4.391730 -1.173328 -0.065236
C -0.179865 -2.096370 -0.429209
C 2.709296 0.698685 1.687475
C -1.745504 0.365136 -0.269281
C -1.599121 -2.179268 0.166325
C -2.386110 -0.875720 0.037459
C -2.554683 1.527227 -0.345245
C -3.782604 -0.915524 0.254355
C -3.948045 1.491448 -0.128405
C -4.562217 0.254895 0.174166
H 2.008781 -0.647482 -1.496770
H 0.451058 -0.754745 1.139380
H -0.121823 0.334502 -1.676923
H 4.133574 0.492466 -1.483149
H 2.105837 1.795572 -1.577807
H 2.394000 2.751470 -0.102371
H 2.894148 -2.719330 -0.664257
H 2.767460 -2.213724 1.035771
H 0.248850 1.971399 0.901134
H -0.041812 2.609843 -0.724945
H 4.919838 -1.244023 0.903891
H 5.035481 -1.644791 -0.830622
H 0.403665 -2.984010 -0.118847
H -0.227997 -2.109614 -1.537806
H 3.351155 1.546762 1.979983
H 1.701686 0.864173 2.105187
H 3.123076 -0.207804 2.163557
H -1.519765 -2.436121 1.243636
H -2.170432 -3.003200 -0.303022
H 5.986072 1.070809 -0.106320
H -2.095181 2.492041 -0.582014
H -4.282243 -1.862381 0.487457
H -4.542216 2.412292 -0.196255
H -6.398593 0.997125 0.323081


