%chk=000045284.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045284

0 1
 O   -1.340000      8.8900000E-02  0.5260000    
 O   -2.957300      0.2650000      -1.184400    
 O    3.676500     -0.8014000     -0.3287000    
 C   -2.698200     -0.2082000      0.1504000    
 C  -0.5663000      -1.120400      0.4410000    
 C   -2.826300      -1.720600      0.2004000    
 C   -1.447400      -2.153900     -0.2413000    
 C   -3.663700      0.5410000       1.050800    
 C   0.7293000     -0.8488000     -0.2989000    
 C   -3.734000       1.885300      0.3654000    
 C    1.599200      0.1666000      0.4421000    
 C    2.909000      0.4134000     -0.2810000    
 C   -3.685100       1.498800      -1.097600    
 C    3.792000       1.445100      0.3994000    
 C    5.161300       1.029500     -7.6499999E-02
 C    5.050900     -0.4803000     -6.7100003E-02
 H  -0.3569000      -1.437800       1.470000    
 H   -3.612400      -2.114700     -0.4501000    
 H   -3.003500      -2.065800       1.226000    
 H   -1.201400      -3.178600      5.1300000E-02
 H   -1.367900      -2.084200      -1.333000    
 H   -3.322700      0.6217000       2.086900    
 H   -4.656000      7.4800000E-02   1.035000    
 H   0.5087000     -0.4538000      -1.298700    
 H    1.275000      -1.790500     -0.4295000    
 H   -2.852900       2.484400      0.6243000    
 H   -4.625000       2.463800      0.6234000    
 H    1.801800     -0.2173000       1.450000    
 H    1.060400       1.114900      0.5526000    
 H    2.719400      0.7158000      -1.318700    
 H   -4.690100       1.319400      -1.493500    
 H   -3.197600       2.258300      -1.715400    
 H    3.738300       1.352000       1.491000    
 H    3.531300       2.472300      0.1297000    
 H    5.323200       1.386700      -1.100500    
 H    5.976900       1.401900      0.5486000    
 H    5.689300     -0.9527000     -0.8188000    
 H    5.306400     -0.8901000      0.9158000    


%chk=000045284-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045284

0 1
O -1.451200 -0.112579 0.869225
O -2.805193 0.174485 -1.129848
O 3.626286 -0.701513 -0.576075
C -2.774429 -0.326815 0.260718
C -0.583012 -1.305533 0.585255
C -2.938817 -1.853039 0.214296
C -1.506680 -2.335743 -0.122332
C -3.790375 0.552906 1.004462
C 0.641460 -0.890520 -0.240223
C -3.561866 1.947312 0.366285
C 1.544216 0.131445 0.481089
C 2.778798 0.517323 -0.343897
C -3.195220 1.610812 -1.105395
C 3.714007 1.553585 0.326481
C 5.122667 1.145052 -0.172464
C 5.019899 -0.393766 -0.177551
H -0.262114 -1.674011 1.581437
H -3.687651 -2.155458 -0.534135
H -3.255042 -2.214351 1.210081
H -1.311475 -3.365880 0.220336
H -1.345719 -2.293203 -1.214077
H -3.615979 0.538886 2.091328
H -4.811113 0.184878 0.793799
H 0.284609 -0.469979 -1.201131
H 1.239894 -1.793115 -0.475550
H -2.717169 2.447364 0.869328
H -4.449468 2.598315 0.436763
H 1.885998 -0.283586 1.451275
H 0.953300 1.042227 0.703363
H 2.463387 0.871585 -1.348417
H -4.054268 1.721661 -1.793059
H -2.350398 2.217304 -1.478281
H 3.654913 1.456223 1.427642
H 3.446483 2.589634 0.057423
H 5.291808 1.523148 -1.197307
H 5.934949 1.515878 0.476618
H 5.690990 -0.882805 -0.904919
H 5.217724 -0.807630 0.833859


