%chk=000085980.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085980

0 1
 O   -1.704700     -0.2511000      0.1116000    
 O   -1.298800     -0.7674000      -2.099400    
 C   0.9305000      -1.380600      0.5473000    
 C    1.791900     -0.4130000     -0.2944000    
 C    2.892900      0.3378000      0.4648000    
 C  -0.1918000      -1.994000     -0.3133000    
 C    1.774600      -2.506400       1.152700    
 C    3.669100       1.325700     -0.4062000    
 C   -1.124000     -0.9570000     -0.9034000    
 C   -2.591000      0.7966000     -0.2949000    
 C   -3.165200       1.478100      0.9489000    
 C    4.744600       2.044400      0.3942000    
 C   -1.820100       1.785500      -1.159000    
 C   -3.908000      0.5014000       1.851000    
 H   0.4805000     -0.8128000       1.371500    
 H    2.252100     -0.9687000      -1.122100    
 H    1.143100      0.3404000     -0.7565000    
 H    2.440300      0.8748000       1.307500    
 H    3.601300     -0.3824000      0.8896000    
 H   0.2376000      -2.568400      -1.143500    
 H  -0.8001000      -2.692400      0.2737000    
 H    2.504900      -2.115600       1.867600    
 H    2.315700      -3.058700      0.3772000    
 H    1.141100      -3.217000       1.694600    
 H    4.135200      0.7948000      -1.244200    
 H    2.981100       2.065100     -0.8320000    
 H   -3.418600      0.3622000     -0.8702000    
 H   -3.845900       2.285000      0.6538000    
 H   -2.352800       1.928000       1.532800    
 H    4.305500       2.609700       1.222400    
 H    5.287400       2.746600     -0.2463000    
 H    5.467200       1.333600      0.8076000    
 H   -2.360700       2.736200      -1.230100    
 H   -1.685600       1.449400      -2.189600    
 H  -0.8270000       1.990100     -0.7442000    
 H   -3.240000     -0.2750000       2.236800    
 H   -4.726600      1.5200000E-02   1.311000    
 H   -4.335100       1.031600       2.708200    


%chk=000085980-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085980

0 1
O -1.673552 -0.059474 0.287221
O -1.349198 -0.764115 -1.915121
C 1.040136 -1.288207 0.671276
C 1.920656 -0.486907 -0.324069
C 3.086371 0.290815 0.328291
C -0.190521 -1.915277 -0.053760
C 1.834215 -2.405259 1.388135
C 3.848714 1.181162 -0.680373
C -1.108186 -0.886287 -0.690259
C -2.595430 1.037010 -0.185261
C -3.556942 1.304566 0.982561
C 5.023847 1.949568 -0.038425
C -1.745991 2.250298 -0.588032
C -4.458603 0.100260 1.322430
H 0.649913 -0.585445 1.435276
H 2.322927 -1.181982 -1.091529
H 1.282996 0.238260 -0.871103
H 2.691194 0.925791 1.149330
H 3.804376 -0.413267 0.794558
H 0.147196 -2.600484 -0.851442
H -0.776428 -2.498394 0.682219
H 2.669533 -1.990073 1.978743
H 2.259510 -3.118989 0.655918
H 1.185999 -2.974843 2.080243
H 4.227221 0.548509 -1.509247
H 3.140110 1.900548 -1.139499
H -3.138888 0.643918 -1.066182
H -4.179959 2.179351 0.708666
H -2.963378 1.599040 1.869906
H 4.668291 2.615601 0.770578
H 5.554003 2.573917 -0.781014
H 5.760108 1.251216 0.403012
H -2.399542 3.074155 -0.929132
H -1.063841 1.991060 -1.415254
H -1.150728 2.611265 0.269797
H -3.847297 -0.774006 1.606127
H -5.084109 -0.187125 0.456338
H -5.134122 0.335525 2.164580


