%chk=000087240.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087240

0 1
 O   0.2320000      0.2578000      -2.148100    
 C  -1.8100001E-02  0.1392000     -0.7468000    
 C    1.128200      0.8063000      9.8999999E-03
 C   -1.339300      0.8468000     -0.4544000    
 C  -0.1139000      -1.343400     -0.3943000    
 C    2.462000      9.6400000E-02 -0.2819000    
 C    1.218600       2.298200     -0.3201000    
 C   -2.497800      0.1778000      -1.215100    
 C   -1.625200      0.8917000       1.048600    
 C    1.176500      -2.084600     -0.7521000    
 C  -0.4616000      -1.530300       1.093200    
 C    3.690100      0.9881000     -7.7000000E-02
 C    2.287500       3.002900      0.5202000    
 C   -3.867600      0.4017000     -0.5683000    
 C   -2.886500       1.700700       1.363900    
 C    1.053600      -3.591800     -0.5118000    
 C  -1.6600000E-02  -2.880100       1.663000    
 C    3.436500       2.087100      0.9448000    
 C   -3.918200       1.693600      0.2346000    
 C   5.9700001E-02  -3.958100      0.5915000    
 H   0.9987000      0.7435000       1.092900    
 H   -1.318300       1.874100     -0.8378000    
 H  -0.8629000      -1.852700      -1.005900    
 H    2.580100     -0.3055000      -1.287800    
 H    2.645600     -0.5837000      0.5527000    
 H   0.2875000       2.841800     -0.1451000    
 H    1.471800       2.436900      -1.378600    
 H   -2.414700     -0.8948000      -1.377300    
 H   -2.522000      0.6084000      -2.226000    
 H  -0.8257000       1.333700       1.646500    
 H   -1.944700     -2.3300000E-02   1.511500    
 H    1.992000      -1.968100     -6.7400001E-02
 H    1.487000      -1.942000      -1.791800    
 H   -1.548100      -1.656500       1.138600    
 H  -7.4900001E-02 -0.7918000       1.792900    
 H    3.957500       1.455600      -1.033900    
 H    4.554800      0.3822000      0.2198000    
 H    1.830800       3.429800       1.421600    
 H    2.681800       3.851400     -5.2200001E-02
 H   -4.095200     -0.4407000      9.7300000E-02
 H   -4.643900      0.4065000      -1.341900    
 H   -2.610900       2.743000       1.569500    
 H   -3.346300       1.327600       2.288600    
 H    2.039200      -4.019300     -0.2828000    
 H   0.7296000      -4.081900      -1.438800    
 H  -0.6941000      -3.190600       2.467400    
 H   0.9747000      -2.768200       2.121500    
 H    3.201400       1.631400       1.915000    
 H    4.343900       2.683200       1.094200    
 H   -3.731600       2.542000     -0.4358000    
 H   -4.920500       1.842500      0.6520000    
 H  -0.9360000      -4.103200      0.1538000    
 H   0.3447000      -4.917500       1.037900    
 H   7.9400003E-02   1.177200      -2.422100    


%chk=000087240-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000087240

0 1
O 0.307877 0.062008 -2.023507
C 0.040717 0.090708 -0.548933
C 1.200867 0.918569 0.128066
C -1.362497 0.791700 -0.361442
C -0.021605 -1.430038 -0.121449
C 2.599856 0.244704 -0.056511
C 1.326641 2.386288 -0.373452
C -2.451272 0.260570 -1.355712
C -1.931908 0.787148 1.081256
C 0.863655 -2.403645 -0.951065
C 0.202061 -1.709076 1.405855
C 3.787696 1.237664 0.116469
C 2.256137 3.211374 0.565536
C -3.895753 0.501818 -0.832748
C -3.098670 1.809326 1.208747
C 0.351901 -3.860385 -0.769131
C 0.617759 -3.185329 1.675573
C 3.434752 2.357793 1.118982
C -3.987743 1.844843 -0.072548
C -0.094321 -4.148366 0.699432
H 0.971516 0.974204 1.213308
H -1.212374 1.862288 -0.617682
H -1.061703 -1.744948 -0.347044
H 2.639948 -0.200801 -1.066978
H 2.711893 -0.583137 0.668133
H 0.349256 2.898323 -0.434630
H 1.750209 2.379782 -1.399120
H -2.302015 -0.815671 -1.559390
H -2.328937 0.768243 -2.331421
H -1.150143 1.023433 1.827029
H -2.304076 -0.226091 1.325854
H 1.916963 -2.338998 -0.622331
H 0.841790 -2.119422 -2.015319
H -0.727765 -1.494388 1.963603
H 0.975866 -1.040591 1.823817
H 4.045390 1.699448 -0.857849
H 4.689497 0.686028 0.444957
H 1.663418 3.619263 1.407832
H 2.651007 4.081857 0.006214
H -4.199043 -0.318202 -0.151485
H -4.607061 0.482371 -1.680781
H -2.688775 2.820006 1.404384
H -3.714638 1.544436 2.090055
H 1.154440 -4.564054 -1.065013
H -0.497193 -4.044692 -1.456816
H 0.387688 -3.449154 2.726270
H 1.713426 -3.301174 1.556045
H 3.153519 1.898790 2.087747
H 4.312135 3.001331 1.320571
H -3.653420 2.657728 -0.748227
H -5.036258 2.074441 0.196180
H -1.189960 -4.013120 0.801294
H 0.115321 -5.201565 0.966953
H 0.194530 0.987361 -2.361278


