%chk=000100179.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100179

0 1
 O   0.4454000      0.3449000       1.943800    
 O  -0.6983000      -1.925700      -1.079200    
 O    4.727700     -5.0500002E-02  -1.388100    
 O    4.402400       2.068200     -0.2843000    
 O   -4.691700      0.6873000      -1.525900    
 C   0.6739000      -1.862400      0.9605000    
 C  -0.2938000     -0.8630000       1.618100    
 C    1.723000     -0.9187000      0.4843000    
 C  -7.6000001E-03  -2.708100     -0.1016000    
 C   -1.476700     -0.5089000      0.7442000    
 C    1.543300      0.3133000       1.119300    
 C   -1.607700      -1.046200     -0.5453000    
 C    2.784200      -1.130700     -0.3821000    
 C   -2.447100      0.3903000       1.231700    
 C    2.399300       1.383600      0.9283000    
 C    3.631400     -5.6000002E-02 -0.5795000    
 C    3.445800       1.160200      5.5500001E-02
 C   -2.661000     -0.6789000      -1.392900    
 C   -3.524100      0.7564000      0.4055000    
 C   -3.592400      0.2162000     -0.8726000    
 C   -4.655200       1.605700      0.5274000    
 C    5.207700       1.295700      -1.197600    
 C   -5.328800       1.527600     -0.6693000    
 H    1.128700      -2.504500       1.725500    
 H  -0.6778000      -1.291200       2.553200    
 H   0.7275000      -3.317800     -0.6385000    
 H  -0.7213000      -3.404700      0.3576000    
 H    2.947800      -2.083500     -0.8695000    
 H   -2.359900      0.8060000       2.232100    
 H    2.254800       2.333900       1.425600    
 H   -2.756400      -1.077000      -2.396800    
 H   -4.942500       2.202300       1.381500    
 H    6.231900       1.251000     -0.8099000    
 H    5.221400       1.803700      -2.168700    
 H   -6.230100       1.985600      -1.049700    


%chk=000100179-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100179

0 1
O 0.421346 0.321487 1.987852
O -0.741680 -2.040670 -1.071339
O 4.807380 0.010099 -1.424329
O 4.453062 2.115671 -0.316132
O -4.698948 0.770232 -1.610421
C 0.664109 -1.909121 0.999196
C -0.364969 -0.946541 1.675539
C 1.724194 -0.939992 0.486890
C -0.005352 -2.807957 -0.050462
C -1.543481 -0.590268 0.784472
C 1.535683 0.307901 1.121648
C -1.654871 -1.103540 -0.548573
C 2.807937 -1.148450 -0.397176
C -2.504127 0.330994 1.259258
C 2.386822 1.420258 0.937899
C 3.655592 -0.051107 -0.590570
C 3.451530 1.187043 0.058883
C -2.682559 -0.696347 -1.428467
C -3.548987 0.754372 0.409117
C -3.596402 0.229241 -0.917979
C -4.681872 1.661675 0.527333
C 5.329933 1.392809 -1.278878
C -5.335249 1.645117 -0.685148
H 1.109693 -2.576191 1.766224
H -0.699493 -1.299233 2.664749
H 0.737370 -3.388420 -0.621065
H -0.711227 -3.508605 0.442135
H 2.981473 -2.098507 -0.909003
H -2.404326 0.731975 2.273565
H 2.221048 2.378102 1.432663
H -2.741597 -1.101283 -2.440533
H -4.966059 2.248602 1.398455
H 6.352786 1.350702 -0.866234
H 5.281440 1.902993 -2.256732
H -6.216397 2.151060 -1.070238


