%chk=000077358.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077358

0 1
 O    1.134500       1.017200     -0.8033000    
 O   -1.135200       1.020200      0.8088000    
 O    7.143800     -5.1600002E-02  0.5563000    
 O   -7.140100     -5.4200001E-02 -0.5653000    
 O    6.578600      -2.213800      0.1417000    
 O   -6.575700      -2.215000     -0.1420000    
 C   0.7494000       2.191500     -9.0000004E-02
 C  -0.7562000       2.188700      9.1399997E-02
 C    2.377500      0.5216000     -0.5555000    
 C   -2.385700      0.5202000      0.5572000    
 C    2.618100     -0.8477000     -0.6700000    
 C   -2.617900     -0.8454000      0.6771000    
 C    3.411600       1.383000     -0.1885000    
 C   -3.410400       1.383600      0.1861000    
 C    4.926200     -0.4944000     -5.0400000E-02
 C   -4.924200     -0.4946000      4.9400002E-02
 C    3.892300      -1.355500     -0.4173000    
 C   -3.891300      -1.354300      0.4222000    
 C    4.685900      0.8750000      6.4000003E-02
 C   -4.683900      0.8744000     -6.8599999E-02
 C    6.255000      -1.023700      0.2127000    
 C   -6.252100      -1.025100     -0.2159000    
 H    1.058200       3.079400     -0.6524000    
 H    1.200800       2.207600      0.9105000    
 H   -1.205300       2.199300     -0.9103000    
 H   -1.067200       3.079500      0.6481000    
 H    1.816100      -1.523200     -0.9553000    
 H   -1.815700      -1.518100      0.9670000    
 H    3.273200       2.457600     -0.1149000    
 H   -3.271800       2.457700      0.1105000    
 H    4.058900      -2.425400     -0.5119000    
 H   -4.057800      -2.424000      0.5198000    
 H    5.463500       1.581200      0.3412000    
 H   -5.460900       1.579700     -0.3501000    
 H    8.036600     -0.4187000      0.7312000    
 H   -8.032300     -0.4221000     -0.7417000    


%chk=000077358-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000077358

0 1
O 1.356558 0.619882 -0.607384
O -1.357034 0.621114 0.607377
O 7.635622 0.178478 0.701258
O -7.635252 0.174134 -0.703024
O 7.445052 -1.585926 -0.797378
O -7.444894 -1.586226 0.800395
C 0.741553 1.714045 0.159518
C -0.742450 1.713387 -0.162488
C 2.722565 0.380549 -0.431567
C -2.722922 0.380781 0.431606
C 3.245951 -0.706473 -1.180713
C -3.246232 -0.704429 1.183411
C 3.568156 1.143876 0.416211
C -3.568273 1.141559 -0.418645
C 5.466526 -0.268592 -0.237938
C -5.466473 -0.269804 0.238391
C 4.606849 -1.025371 -1.082938
C -4.606981 -1.024047 1.085845
C 4.934236 0.813163 0.506841
C -4.934202 0.810144 -0.509030
C 6.896379 -0.645491 -0.169917
C -6.896179 -0.647356 0.170645
H 1.192035 2.681460 -0.143588
H 0.894182 1.559634 1.245344
H -0.895077 1.555981 -1.247885
H -1.193243 2.681479 0.138003
H 2.567591 -1.277246 -1.821258
H -2.567960 -1.273251 1.825780
H 3.179540 1.983029 0.999964
H -3.179575 1.979218 -1.004500
H 5.030518 -1.859365 -1.651497
H -5.030661 -1.856671 1.656398
H 5.599258 1.390337 1.155210
H -5.599113 1.385330 -1.159271
H 8.580629 -0.131076 0.697626
H -8.580180 -0.135658 -0.699002


