%chk=000040788.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040788

0 1
 O   0.4152000      0.3607000     -0.7359000    
 O    1.529800      -2.163600     -0.4017000    
 O   -1.875300       3.017600      0.1202000    
 O  -0.5488000       2.690200      -1.687800    
 C  -0.6083000      0.9743000      4.3800000E-02
 C   -1.755800      3.6200002E-02  0.2101000    
 C    1.637600      0.2135000     -0.1381000    
 C   -2.525300      7.4800000E-02   1.372900    
 C   -2.060000     -0.8794000     -0.7974000    
 C    2.190900      -1.052700      2.7600000E-02
 C  -0.9941000       2.293800     -0.6186000    
 C    2.319100       1.344300      0.3021000    
 C   -3.598600     -0.8023000       1.528500    
 C   -3.133500      -1.756300     -0.6417000    
 C    3.437300      -1.189200      0.6387000    
 C   -3.902800      -1.717800      0.5212000    
 C    3.565600       1.207600      0.9131000    
 C    4.124600     -5.9000000E-02   1.081500    
 C    1.782600      -2.592500      -1.738300    
 H  -0.2190000       1.230200       1.039900    
 H   -2.300500      0.7831000       2.166000    
 H   -1.484100     -0.9227000      -1.717900    
 H    1.903300       2.338900      0.1686000    
 H   -4.197900     -0.7722000       2.433700    
 H   -3.372200      -2.467600      -1.427100    
 H    3.878800      -2.172900      0.7735000    
 H   -4.739000      -2.400200      0.6420000    
 H    4.102100       2.087700       1.255500    
 H    5.095400     -0.1653000       1.556800    
 H   -2.103200       3.867800     -0.3125000    
 H    1.498100      -1.813600      -2.452900    
 H    1.177700      -3.482300      -1.932500    
 H    2.838500      -2.851900      -1.864700    


%chk=000040788-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040788

0 1
O 0.447915 -0.439169 0.133791
O 2.503492 -2.332992 -0.511417
O -0.816919 2.913318 -0.151341
O -0.276224 1.499865 -1.922021
C -0.584874 0.573443 0.376350
C -1.933571 -0.129253 0.323031
C 1.803648 -0.059916 0.305421
C -2.816401 -0.057623 1.425783
C -2.308618 -0.857577 -0.834123
C 2.781116 -1.048135 -0.024633
C -0.518725 1.665440 -0.712114
C 2.215467 1.194318 0.814511
C -4.068006 -0.712304 1.376610
C -3.555765 -1.515572 -0.878651
C 4.145853 -0.764188 0.209998
C -4.438659 -1.443930 0.225383
C 3.585582 1.463951 1.032611
C 4.552802 0.478032 0.741657
C 1.422461 -2.522062 -1.501411
H -0.445853 1.052871 1.362689
H -2.526203 0.503431 2.321994
H -1.626138 -0.899850 -1.689724
H 1.480876 1.968120 1.059180
H -4.747279 -0.655935 2.234089
H -3.842281 -2.080150 -1.772688
H 4.870777 -1.544323 -0.042432
H -5.407572 -1.954160 0.188121
H 3.886171 2.438347 1.431418
H 5.616132 0.674937 0.912616
H -0.842203 3.607142 -0.865317
H 0.438400 -2.548834 -1.008189
H 1.648517 -3.491227 -1.973567
H 1.434283 -1.716817 -2.259025


