%chk=000079064.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079064

0 1
 O   -1.039600      0.7592000     -0.9271000    
 O    1.432700      0.2073000       1.545800    
 O   0.1305000      -2.167700      0.9586000    
 O    1.638500      0.4727000      -2.090300    
 O  -7.3700003E-02   2.422600      0.4542000    
 O   -3.476800     -0.2824000     -0.1739000    
 O    3.742700      0.1849000       1.543100    
 O    1.398200      -3.538500     -0.4018000    
 O    3.913800      0.7356000      -1.789500    
 O   -2.133600       3.205500     -0.2390000    
 O   -4.858000      -2.056200     -0.7062000    
 C    1.418400     -0.2618000      0.1980000    
 C   0.1783000      -1.135100     -1.8900000E-02
 C    1.401000      0.9319000     -0.7611000    
 C   -1.098100     -0.2899000      4.4100001E-02
 C   5.2999999E-02   1.665100     -0.7451000    
 C   -2.340300      -1.122100     -0.2606000    
 C    2.669700      0.3871000       2.095300    
 C   0.7864000      -3.323100      0.6356000    
 C    2.948300      0.4249000      -2.473800    
 C   -1.223400       3.150700      0.5769000    
 C    2.530400      0.8796000       3.503800    
 C   0.6520000      -4.314100       1.751900    
 C   -4.685200     -0.8788000     -0.4216000    
 C    3.044600     -7.3500000E-02  -3.883800    
 C   -1.218800       3.891300       1.879800    
 C   -5.791000      0.1248000     -0.2943000    
 H    2.295300     -0.8953000      1.2200000E-02
 H   0.2305000      -1.563600      -1.030100    
 H    2.165100       1.661300     -0.4600000    
 H   -1.229300      0.1533000       1.039700    
 H   2.7899999E-02   2.360200      -1.594000    
 H   -2.279800      -1.528200      -1.277700    
 H   -2.438700      -1.946100      0.4552000    
 H    2.000400      0.1365000       4.104900    
 H    3.523900       1.033400       3.934600    
 H    1.996300       1.833100       3.511200    
 H  -0.4031000      -4.548600       1.913500    
 H    1.177100      -5.235400       1.484500    
 H    1.100600      -3.908700       2.662200    
 H    2.627900      -1.081800      -3.949100    
 H    4.095600     -0.1105000      -4.184600    
 H    2.514100      0.6070000      -4.554400    
 H  -0.3767000       4.587200       1.907100    
 H   -2.147000       4.461600       1.976500    
 H   -1.158700       3.181100       2.708400    
 H   -5.646100      0.9289000      -1.020100    
 H   -6.748600     -0.3619000     -0.4996000    
 H   -5.813100      0.5236000      0.7230000    


%chk=000079064-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000079064

0 1
O -0.957331 0.605931 -1.083479
O 1.420770 0.223478 1.587647
O 0.190999 -2.274330 1.002656
O 1.922570 0.301702 -2.054732
O -0.094341 2.432085 0.219390
O -3.441633 -0.413736 0.187060
O 2.830620 -1.475383 2.367841
O 1.559398 -3.632694 -0.317849
O 3.057381 2.285849 -2.534546
O -1.112274 4.014878 -1.180903
O -4.858722 -1.980307 -0.796180
C 1.488571 -0.330898 0.209224
C 0.260656 -1.230767 -0.045161
C 1.501799 0.875517 -0.746699
C -1.036433 -0.402452 0.013138
C 0.125036 1.544003 -0.951853
C -2.280846 -1.229503 -0.255762
C 2.129182 -0.465515 2.590324
C 0.958977 -3.442602 0.758291
C 2.717780 1.134782 -2.876620
C -0.786264 3.646023 -0.037177
C 1.894122 0.190915 3.930182
C 0.943686 -4.339833 1.967999
C -4.703291 -0.903521 -0.178609
C 3.046036 0.424195 -4.166208
C -1.040761 4.370719 1.262902
C -5.788005 0.055712 0.257281
H 2.419058 -0.914163 0.096243
H 0.381729 -1.702431 -1.038672
H 2.232360 1.636138 -0.421033
H -1.114653 0.118478 0.985286
H 0.096222 2.150880 -1.871993
H -2.383635 -1.463921 -1.329773
H -2.260954 -2.169583 0.322155
H 0.941854 -0.178446 4.353211
H 2.709223 -0.071665 4.620608
H 1.812431 1.283696 3.823344
H -0.026989 -4.295743 2.486362
H 1.179121 -5.372900 1.672401
H 1.723495 -3.983323 2.666442
H 3.368978 -0.610695 -3.967429
H 3.831040 0.974719 -4.704052
H 2.142583 0.371078 -4.800128
H -0.119725 4.412670 1.867499
H -1.408972 5.385968 1.057300
H -1.797010 3.819205 1.849743
H -5.800727 0.928639 -0.420238
H -6.765871 -0.445185 0.212376
H -5.593638 0.429434 1.275689


