%chk=000019592.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019592

0 1
 O    3.376100     -0.7786000     -0.1757000    
 O    6.231200       1.387000     -0.1673000    
 O    5.963300     -0.8134000     -0.6195000    
 C   -2.228600      -1.026200      0.6122000    
 C   -2.789000      -2.244500     -0.1511000    
 C   -4.310800      -2.240800     -0.1439000    
 C   -2.966500      0.2735000      0.3026000    
 C   -4.828300      -1.007900     -0.8764000    
 C   -4.200100      0.2694000     -0.3795000    
 C  -0.7212000     -0.9596000      0.4005000    
 C   -2.460000       1.500100      0.7718000    
 C   -4.855300       1.484200     -0.6399000    
 C   0.1341000      -1.126600       1.483700    
 C  -0.2148000     -0.7322000     -0.8741000    
 C   -3.128200       2.698500      0.5189000    
 C   -4.321400       2.691400     -0.1940000    
 C    1.514100      -1.065400       1.289700    
 C    1.165100     -0.6711000      -1.068200    
 C    2.029600     -0.8376000      1.3800000E-02
 C    3.993700      0.5017000     -5.2499998E-02
 C    3.753700       1.007500       1.366900    
 C    3.387100       1.422600      -1.107000    
 C    5.476300      0.2679000     -0.3111000    
 H   -2.423100      -1.212400       1.679300    
 H   -2.418300      -3.169800      0.3079000    
 H   -2.450300      -2.262400      -1.194900    
 H   -4.678000      -2.251000      0.8900000    
 H   -4.692000      -3.145400     -0.6309000    
 H   -5.917100     -0.9614000     -0.7543000    
 H   -4.618600      -1.099800      -1.949400    
 H   -1.535000       1.536100       1.342100    
 H   -5.794900       1.492500      -1.187300    
 H  -0.2532000      -1.309600       2.482000    
 H  -0.8719000     -0.5959000      -1.728400    
 H   -2.716100       3.636100      0.8805000    
 H   -4.841200       3.623300     -0.3955000    
 H    2.174200      -1.220800       2.138200    
 H    1.551000     -0.5149000      -2.071400    
 H    4.347700       1.907700       1.564500    
 H    2.711900       1.286700       1.553000    
 H    4.048600      0.2605000       2.112800    
 H    3.418200      0.9660000      -2.102900    
 H    3.950200       2.361400      -1.169200    
 H    2.351800       1.702900     -0.8886000    
 H    7.181100       1.212100     -0.3385000    


%chk=000019592-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000019592

0 1
O 3.388800 -0.729947 -0.270034
O 6.503887 1.155611 -0.203168
O 6.024115 -1.052441 -0.735184
C -2.329935 -0.972915 0.631688
C -2.847940 -2.254221 -0.084007
C -4.385250 -2.346936 -0.016658
C -3.142683 0.275551 0.238753
C -5.012875 -1.171219 -0.793508
C -4.411633 0.177044 -0.402394
C -0.821288 -0.824589 0.417062
C -2.646749 1.561300 0.581324
C -5.133765 1.364558 -0.689300
C 0.093341 -1.180829 1.438773
C -0.297191 -0.407569 -0.834905
C -3.372910 2.734297 0.292959
C -4.628341 2.636542 -0.351707
C 1.489237 -1.115613 1.230660
C 1.093055 -0.338588 -1.057138
C 1.991633 -0.685464 -0.018550
C 4.187427 0.507499 -0.028453
C 4.115451 0.940779 1.455228
C 3.751901 1.650756 -0.975515
C 5.623856 0.065154 -0.369219
H -2.490528 -1.127743 1.720858
H -2.372428 -3.139414 0.378145
H -2.527470 -2.236935 -1.145098
H -4.712331 -2.318533 1.042234
H -4.732285 -3.308759 -0.439203
H -6.109175 -1.144859 -0.642720
H -4.855510 -1.337468 -1.880235
H -1.671683 1.636881 1.077125
H -6.111627 1.282413 -1.181389
H -0.290120 -1.520039 2.409335
H -0.986957 -0.127898 -1.639968
H -2.967034 3.714191 0.568543
H -5.206053 3.538966 -0.581604
H 2.191983 -1.416155 2.014296
H 1.493036 -0.044319 -2.032740
H 4.781174 1.801907 1.628972
H 3.081372 1.231896 1.708536
H 4.422825 0.114235 2.118728
H 3.803039 1.324917 -2.028678
H 4.411392 2.523865 -0.842396
H 2.714236 1.949404 -0.746866
H 7.427099 0.856486 -0.423683


