%chk=000041981.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041981

0 1
 O   -4.091000      -2.205500     -4.1999999E-03
 O   -5.875900     -0.5871000     -5.6299999E-02
 O    2.018000       2.202800      0.3314000    
 C    4.285100      0.8096000     -0.3101000    
 C    2.924600      0.1366000     -0.4779000    
 C   -3.629400     -0.9256000      2.3600001E-02
 C   -2.040900      0.8193000      9.4499998E-02
 C   -4.648600     -1.4000000E-03 -6.3000000E-03
 C   -2.304600     -0.5438000      7.4699998E-02
 C    5.417100     -9.0200000E-02 -0.7247000    
 C    1.793700       1.068800     -8.6599998E-02
 C   -3.065700       1.769000      6.4700000E-02
 C   -4.399200       1.355600      1.3300000E-02
 C    6.162200     -0.8966000      5.4900002E-02
 C  -0.6428000       1.278000      0.1482000    
 C   0.4099000      0.5249000     -0.1991000    
 C   -5.515300      -1.983500     -5.3700000E-02
 C    7.283300      -1.773500     -0.4259000    
 C    5.919600     -0.9572000       1.539500    
 H    4.416300       1.174200      0.7145000    
 H    4.330000       1.710700     -0.9363000    
 H    2.778200     -0.1613000      -1.522800    
 H    2.865900     -0.7574000      0.1540000    
 H   -1.539400      -1.309700      0.1172000    
 H    5.630100     -8.6599998E-02  -1.793000    
 H   -2.845700       2.833700      7.9200000E-02
 H   -5.205000       2.080200     -1.1000000E-02
 H  -0.4979000       2.296600      0.5000000    
 H   0.3297000     -0.4868000     -0.5784000    
 H   -5.975700      -2.463300      0.8177000    
 H   -5.911700      -2.450000     -0.9628000    
 H    7.436300      -1.675100      -1.505700    
 H    7.064800      -2.824900     -0.2135000    
 H    8.220300      -1.502200      7.0900001E-02
 H    6.735700     -0.4588000       2.073100    
 H    4.977100     -0.5099000       1.862500    
 H    5.887700      -2.002200       1.868300    


%chk=000041981-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041981

0 1
O -4.559911 -2.117320 -0.537412
O -6.192826 -0.426027 -0.041339
O 1.949208 2.133827 0.240759
C 4.289087 0.583179 -0.202664
C 2.888589 -0.056444 -0.331737
C -3.923778 -0.882899 -0.256075
C -2.148083 0.720999 0.066201
C -4.890545 0.109988 0.035352
C -2.560288 -0.618066 -0.250531
C 5.389779 -0.374620 -0.607939
C 1.737557 0.914454 -0.047952
C -3.136148 1.708318 0.356164
C -4.524185 1.421761 0.346362
C 6.444149 -0.815428 0.138571
C -0.740489 1.120218 0.105059
C 0.366548 0.345353 -0.131401
C -6.017548 -1.862027 -0.403439
C 7.465342 -1.778757 -0.448358
C 6.717112 -0.408356 1.576429
H 4.422091 0.952493 0.828594
H 4.313202 1.486017 -0.845336
H 2.744472 -0.473380 -1.351893
H 2.795251 -0.925445 0.352755
H -1.835522 -1.402897 -0.479152
H 5.314438 -0.748416 -1.642920
H -2.806684 2.725264 0.595481
H -5.272489 2.185447 0.570167
H -0.535938 2.172155 0.355945
H 0.285712 -0.719081 -0.388839
H -6.421354 -2.486309 0.411647
H -6.508424 -2.046811 -1.373891
H 7.224745 -2.047157 -1.491893
H 7.518341 -2.713807 0.144895
H 8.482407 -1.337868 -0.433163
H 7.691694 0.114059 1.654393
H 5.944691 0.257489 1.993356
H 6.786599 -1.302507 2.227702


