%chk=000078213.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078213

0 1
 O  -0.8685000       2.807100       1.772700    
 O    1.193500      -3.397800      0.7052000    
 O   -1.105000       2.564200     -0.4665000    
 O    1.678000      -1.649400       2.060700    
 C   0.5730000      5.5599999E-02 -0.3871000    
 C   -1.024700     -0.5174000      0.8953000    
 C  -8.7300003E-02  0.7072000      0.8460000    
 C   8.5400000E-02  -1.300500      0.1641000    
 C    2.120300      0.2649000     -0.5440000    
 C   -2.403200     -0.4081000      0.1345000    
 C  -0.7395000       2.104700      0.6129000    
 C    1.070300      -2.097500       1.091400    
 C    2.894200     -0.7139000      -1.167400    
 C   -3.539300      6.6000000E-02  0.7962000    
 C    2.723400       1.422600     -5.2499998E-02
 C   -2.496200     -0.7969000      -1.204800    
 C    4.271400     -0.5350000      -1.299300    
 C   -4.758700      0.1507000      0.1241000    
 C    4.100500       1.601400     -0.1842000    
 C   -3.715400     -0.7122000      -1.877000    
 C    4.874500      0.6226000     -0.8077000    
 C   -4.846600     -0.2384000      -1.212500    
 H   7.6099999E-02  0.3257000      -1.330500    
 H   -1.182600     -0.8744000       1.923300    
 H   0.5675000      0.7344000       1.730700    
 H  -0.2499000      -1.982100     -0.6256000    
 H    2.436300      -1.616000      -1.563500    
 H   -3.479900      0.3707000       1.837600    
 H    2.142600       2.203200      0.4287000    
 H   -1.653700      -1.154800      -1.783200    
 H   -1.277700       3.685800       1.622400    
 H    1.809500      -3.893100       1.286100    
 H    4.873700      -1.296100      -1.786700    
 H   -5.639400      0.5198000      0.6414000    
 H    4.570100       2.503700      0.1966000    
 H   -3.784000      -1.010600      -2.919100    
 H    5.946500      0.7624000     -0.9112000    
 H   -5.795700     -0.1713000      -1.736300    


%chk=000078213-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000078213

0 1
O -1.356358 2.987787 0.770906
O 1.372602 -3.180309 0.288339
O -0.818806 2.446416 -1.422175
O 1.073626 -1.829339 2.152289
C 0.797246 0.116523 -0.517164
C -1.009156 -0.290611 0.743058
C -0.088331 0.982373 0.424462
C 0.043311 -1.196992 -0.000618
C 2.310238 0.213949 -0.440838
C -2.429438 -0.319419 0.217804
C -0.755748 2.178239 -0.200631
C 0.851766 -2.053663 0.940789
C 3.110181 -0.760800 -1.095603
C -3.508030 -0.415774 1.134396
C 2.957311 1.287045 0.220090
C -2.725606 -0.255934 -1.170840
C 4.517964 -0.668178 -1.081151
C -4.845636 -0.454611 0.682490
C 4.367916 1.383049 0.234459
C -4.061183 -0.295245 -1.625516
C 5.154265 0.405217 -0.414057
C -5.127233 -0.395867 -0.701490
H 0.479871 0.291398 -1.563650
H -1.007313 -0.485692 1.827628
H 0.417488 1.289077 1.354006
H -0.360550 -1.819919 -0.812807
H 2.626138 -1.596250 -1.614998
H -3.295271 -0.462296 2.209436
H 2.366100 2.061440 0.721645
H -1.915765 -0.163094 -1.904101
H -1.842470 3.732959 0.323298
H 1.942691 -3.691940 0.925299
H 5.118474 -1.429304 -1.592202
H -5.664228 -0.532901 1.406733
H 4.849960 2.221207 0.750158
H -4.270418 -0.242379 -2.699744
H 6.247414 0.478903 -0.402939
H -6.163522 -0.427865 -1.055963


