%chk=000086634.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086634

0 1
 O    3.624300      -1.202400     -0.8816000    
 O   -4.908800       1.492800      0.4395000    
 O   -5.599500     -0.4670000     -0.5810000    
 C  -0.5414000     -0.6729000      0.2678000    
 C   0.8862000      -1.126000     -2.9100001E-02
 C  -0.9085000      0.5710000     -0.5523000    
 C   -1.541800      -1.811700     -6.9999998E-04
 C    1.868700      2.5800001E-02  0.2302000    
 C   -2.321100       1.060200     -0.2147000    
 C    1.227100      -2.351700      0.8224000    
 C   -2.971900      -1.352900     -2.9300001E-02
 C   -3.312200     -5.8800001E-02 -0.1126000    
 C    3.319000     -0.3232000     -7.7500001E-02
 C    4.363500      0.4284000      0.7375000    
 C    5.679400      0.6726000     -1.6300000E-02
 C   -4.739600      0.2706000     -0.1256000    
 C    6.684600       1.375200      0.8984000    
 C    5.453200       1.512000      -1.276400    
 C   -6.261200       1.957900      0.5014000    
 H  -0.6139000     -0.4023000       1.331900    
 H   0.9679000      -1.418500      -1.084600    
 H  -0.2436000       1.416300     -0.3590000    
 H  -0.8434000      0.3445000      -1.624600    
 H   -1.460500      -2.568900      0.7876000    
 H   -1.323700      -2.306300     -0.9553000    
 H    1.801200      0.3354000       1.279900    
 H    1.669900      0.8952000     -0.4014000    
 H   -2.632000       1.778800     -0.9827000    
 H   -2.291100       1.596900      0.7421000    
 H    2.275400      -2.646700      0.7190000    
 H   0.6404000      -3.226800      0.5262000    
 H    1.045600      -2.160400       1.885900    
 H   -3.728400      -2.131500      2.2299999E-02
 H    3.936500       1.393400       1.037000    
 H    4.541800     -0.1523000       1.649800    
 H    6.104600     -0.2921000     -0.3197000    
 H    7.638600       1.528500      0.3828000    
 H    6.881500      0.7740000       1.792300    
 H    6.313400       2.353400       1.222500    
 H    4.999900       2.479100      -1.032900    
 H    4.798100       1.001200      -1.988600    
 H    6.402800       1.704700      -1.787200    
 H   -6.260400       2.943700      0.9741000    
 H   -6.868100       1.278100       1.107000    
 H   -6.675500       2.051900     -0.5070000    


%chk=000086634-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086634

0 1
O 3.543460 -0.881734 -1.120028
O -5.075825 1.633208 -0.019653
O -5.783491 -0.577629 0.184776
C -0.549859 -0.680391 0.355343
C 0.916178 -1.136211 0.076992
C -0.980120 0.523010 -0.525550
C -1.570313 -1.829579 0.137804
C 1.938784 -0.068042 0.537097
C -2.370825 1.066564 -0.125871
C 1.266934 -2.487808 0.748616
C -3.006878 -1.364911 0.121203
C -3.384654 -0.055421 0.026450
C 3.340168 -0.223530 -0.063928
C 4.479455 0.467024 0.691781
C 5.746095 0.746871 -0.151502
C -4.842057 0.249279 0.073329
C 6.929776 1.139322 0.761659
C 5.472179 1.838868 -1.212692
C -6.499375 2.035843 0.022738
H -0.619943 -0.367075 1.421407
H 1.039605 -1.261528 -1.019067
H -0.245109 1.347513 -0.465860
H -1.002336 0.192854 -1.584529
H -1.458789 -2.604582 0.921227
H -1.349989 -2.349590 -0.821792
H 2.020456 -0.054017 1.644013
H 1.605556 0.953726 0.254709
H -2.732578 1.792270 -0.876543
H -2.303350 1.633753 0.824890
H 2.325229 -2.744760 0.565066
H 0.660384 -3.318907 0.349644
H 1.104745 -2.441204 1.843690
H -3.795784 -2.126061 0.200048
H 4.098564 1.401257 1.154333
H 4.733164 -0.202122 1.544527
H 5.997903 -0.189795 -0.686666
H 7.840857 1.329588 0.164902
H 7.162729 0.339555 1.490086
H 6.703771 2.062004 1.331228
H 5.199559 2.798250 -0.730179
H 4.651649 1.540216 -1.888734
H 6.369896 2.017357 -1.832638
H -6.484960 3.131811 -0.061229
H -6.961264 1.714812 0.971834
H -7.052603 1.579143 -0.815432


