%chk=000100572.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100572

0 1
 O   -1.591500      -1.239000      0.1049000    
 O   -3.889100      -1.126000      6.8400003E-02
 C   0.7462000     -0.7538000      0.5657000    
 C    2.028500      6.0500000E-02  0.2886000    
 C  -0.5144000     -0.3186000     -0.1870000    
 C   -1.039700       1.029100      0.2765000    
 C    2.545300     -0.5356000      -1.031900    
 C    1.190400      -2.132800      0.1048000    
 C    2.304600      -2.035400     -0.8980000    
 C    2.062100       1.574400      0.2637000    
 C  -0.3572000       2.202500     -0.4083000    
 C    1.073100       2.435200     -3.5799999E-02
 C   -2.493000      0.8461000     -1.9200001E-02
 C   -2.792700     -0.5981000      4.5000002E-02
 C    3.426000       2.148000      0.5940000    
 C   0.7395000      -3.292700      0.5991000    
 C   -3.438100       1.736400     -0.3305000    
 H   0.5440000     -0.7770000       1.645000    
 H    2.734500     -0.2416000       1.080700    
 H  -0.3561000     -0.3486000      -1.274100    
 H  -0.9411000       1.124100       1.367400    
 H    3.606200     -0.3232000      -1.202800    
 H    1.989100     -0.1364000      -1.889800    
 H    3.204100      -2.531300     -0.5164000    
 H    2.032900      -2.474900      -1.862400    
 H  -0.8989000       3.118700     -0.1380000    
 H  -0.4295000       2.123400      -1.500500    
 H    1.326700       3.496400     -3.5100002E-02
 H    3.445800       3.242500      0.5576000    
 H    4.177400       1.784800     -0.1141000    
 H    3.726200       1.850900       1.604600    
 H  -3.2900002E-02  -3.316000       1.359900    
 H    1.137100      -4.240300      0.2522000    
 H   -3.217000       2.796300     -0.3868000    
 H   -4.460300       1.435100     -0.5347000    


%chk=000100572-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100572

0 1
O -1.609119 -1.293682 0.050604
O -3.935641 -1.176542 0.137962
C 0.765199 -0.793544 0.551549
C 2.040359 0.080739 0.279043
C -0.482918 -0.324867 -0.212419
C -1.040993 1.053170 0.226431
C 2.625172 -0.553193 -1.029603
C 1.221325 -2.197901 0.106209
C 2.462342 -2.074002 -0.788492
C 2.051558 1.610538 0.240199
C -0.383255 2.233354 -0.506003
C 1.066235 2.482643 -0.127241
C -2.539253 0.880739 0.028080
C -2.839166 -0.592029 0.073944
C 3.421578 2.176802 0.608093
C 0.622711 -3.359015 0.459669
C -3.512552 1.806196 -0.148564
H 0.505426 -0.783638 1.627505
H 2.745830 -0.209923 1.088062
H -0.314511 -0.343653 -1.307126
H -0.844730 1.163916 1.314266
H 3.673466 -0.257001 -1.206823
H 2.034166 -0.220260 -1.903509
H 3.353144 -2.471353 -0.262417
H 2.358472 -2.648044 -1.726526
H -0.954168 3.155762 -0.283712
H -0.483163 2.079741 -1.602348
H 1.352468 3.545014 -0.152176
H 3.467775 3.270213 0.467341
H 4.225257 1.720259 -0.001959
H 3.665308 1.958515 1.666932
H -0.268956 -3.376667 1.093423
H 0.996137 -4.324900 0.097620
H -3.302917 2.880878 -0.184105
H -4.554386 1.484838 -0.261211


