%chk=000029323.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029323

0 1
 O    1.835800      -1.051500     -0.3130000    
 O    3.896000      -1.937000      0.2524000    
 O   -2.327900      -2.224200     -0.9092000    
 C    3.309000       1.530300     -0.1981000    
 C    4.684000       1.030700      0.1364000    
 C    3.778800      0.2138000     -0.7289000    
 C    2.271300       1.557100      0.8751000    
 C    3.162100       2.644300      -1.181100    
 C    4.950100      0.5186000       1.512600    
 C    5.864800       1.707700     -0.4776000    
 C    3.193800      -1.047300     -0.2059000    
 C    1.184700      -2.229100      0.1664000    
 C  -0.2733000      -2.106700     -6.0000001E-03
 C   -1.199000      -1.572000      0.9216000    
 C   -1.009500      -2.489400      -1.103100    
 C   -2.392100      -1.678000      0.3117000    
 C   -3.789800      -1.292400      0.7547000    
 C   -4.168500      0.1011000      0.3813000    
 C   -4.789100      0.3509000     -0.8428000    
 C   -3.902700       1.154500       1.256200    
 C   -5.143600       1.653900      -1.192100    
 C   -4.257200       2.457500      0.9068000    
 C   -4.877700       2.707200     -0.3172000    
 H    4.035100      0.1529000      -1.782800    
 H    2.261800      0.7016000       1.553900    
 H    1.268900       1.611800      0.4340000    
 H    2.402100       2.452900       1.493200    
 H    2.117900       2.741400      -1.499800    
 H    3.461500       3.595900     -0.7287000    
 H    3.748900       2.502900      -2.094300    
 H    4.136900     -3.0800000E-02   1.991900    
 H    5.815500     -0.1546000       1.503800    
 H    5.198000       1.355400       2.176000    
 H    6.013800       2.697300     -3.2299999E-02
 H    5.779000       1.830200      -1.561700    
 H    6.776600       1.124500     -0.3060000    
 H    1.426100      -2.367200       1.227600    
 H    1.558100      -3.099400     -0.3871000    
 H  -0.9935000      -1.166900       1.902100    
 H  -0.7597000      -2.940800      -2.052500    
 H   -3.864700      -1.421300       1.842700    
 H   -4.511800      -2.004000      0.3324000    
 H   -5.000700     -0.4608000      -1.534000    
 H   -3.418500      0.9740000       2.212400    
 H   -5.626200       1.848500      -2.145300    
 H   -4.049800       3.277800       1.587700    
 H   -5.153400       3.721800     -0.5892000    


%chk=000029323-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000029323

0 1
O 2.041131 -1.642774 -1.025645
O 2.185739 -1.109867 1.244681
O -2.478216 -2.329226 -1.037575
C 3.158489 1.753115 0.144716
C 4.462919 0.947468 0.285950
C 3.246133 0.309349 -0.474937
C 2.277064 1.994969 1.371437
C 3.056532 2.899828 -0.865605
C 4.876455 0.398854 1.653470
C 5.679429 1.284186 -0.581960
C 2.467161 -0.834680 0.046549
C 1.205938 -2.841057 -0.655270
C -0.249655 -2.502509 -0.552751
C -0.918416 -1.837076 0.554579
C -1.228631 -2.780963 -1.492301
C -2.260748 -1.739859 0.238772
C -3.464535 -1.152459 0.916617
C -3.831964 0.261497 0.448137
C -4.100458 0.526556 -0.919749
C -3.925425 1.323810 1.380629
C -4.457109 1.826216 -1.342126
C -4.282411 2.626252 0.959957
C -4.550276 2.881484 -0.403938
H 3.343063 0.282274 -1.564917
H 2.199482 1.111651 2.022562
H 1.252218 2.265206 1.054107
H 2.680420 2.838322 1.964169
H 2.001898 3.045042 -1.165130
H 3.410711 3.845305 -0.411084
H 3.642343 2.725922 -1.783526
H 4.031626 -0.013021 2.225437
H 5.617190 -0.413193 1.526454
H 5.353994 1.199137 2.250853
H 6.282767 2.081134 -0.105947
H 5.409787 1.624052 -1.595693
H 6.325031 0.392530 -0.689616
H 1.592560 -3.237261 0.299913
H 1.406374 -3.547020 -1.476055
H -0.431286 -1.474303 1.457431
H -1.223299 -3.265471 -2.465098
H -3.272970 -1.139904 2.004086
H -4.326045 -1.829387 0.751673
H -4.023739 -0.286923 -1.650267
H -3.718123 1.132845 2.441101
H -4.662884 2.016571 -2.401782
H -4.350555 3.437049 1.694317
H -4.827808 3.889434 -0.732423


