%chk=000018961.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018961

0 1
 O    3.408800     -2.8600000E-02 -1.7600000E-02
 O    1.129900      -3.385600      0.6310000    
 O   -1.017500      -2.747800      0.9991000    
 C   0.6751000      -1.042900      0.5054000    
 C  -0.3803000      4.1999999E-03  0.7046000    
 C    1.373300     -0.9692000     -0.8814000    
 C   -1.496500      7.8900002E-02 -0.1445000    
 C  -0.2251000      0.9066000       1.757200    
 C   -2.468900       1.083200      7.7100001E-02
 C    2.449900      8.9000002E-02 -0.9473000    
 C   -1.180900       1.894300       1.975000    
 C   0.1401000      -2.459500      0.7314000    
 C   -2.296000       1.983300       1.141200    
 C   -1.669000     -0.8210000      -1.208700    
 C   0.9565000      0.8367000       2.669200    
 C   -3.585100       1.157800     -0.7721000    
 C   -2.783900     -0.7320000      -2.042700    
 C    2.629000       1.138800      -1.772700    
 C   -3.740100      0.2554000      -1.824800    
 C    3.822600       1.752900      -1.324200    
 C    4.258300       1.005300     -0.2550000    
 H    1.460100     -0.9735000       1.263300    
 H   0.7135000     -0.7698000      -1.726000    
 H    1.866300      -1.919800      -1.121700    
 H   -1.076000       2.605600       2.790000    
 H   -3.030700       2.763200       1.330000    
 H   -1.020200      -1.662600      -1.415300    
 H    1.889000       1.009800       2.123800    
 H   0.9056000       1.611700       3.443300    
 H   0.9916000     -0.1214000       3.198200    
 H   -4.345500       1.921000     -0.6199000    
 H   -2.914500      -1.443400      -2.853100    
 H    1.999900       1.446000      -2.595500    
 H   -4.609800      0.3216000      -2.472100    
 H    4.304800       2.630900      -1.729100    
 H    5.107800       1.073900      0.4088000    
 H   0.7966000      -4.294700      0.7883000    


%chk=000018961-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018961

0 1
O 3.576006 0.023077 0.059374
O 0.372259 -3.503867 -0.236059
O -0.510199 -2.887676 1.814425
C 0.726009 -1.187094 0.515597
C -0.314348 -0.068800 0.690651
C 1.539683 -1.079326 -0.820170
C -1.480920 -0.013750 -0.166345
C -0.109147 0.924561 1.671044
C -2.417583 1.085006 -0.024329
C 2.471225 0.091956 -0.829595
C -1.054997 1.997140 1.793941
C 0.117699 -2.566357 0.784404
C -2.173460 2.083330 0.970826
C -1.774804 -1.008108 -1.164737
C 1.080469 0.910666 2.620807
C -3.574462 1.154566 -0.868790
C -2.911203 -0.917247 -1.971887
C 2.536102 1.282468 -1.534173
C -3.822105 0.175076 -1.830678
C 3.717083 1.995367 -1.084438
C 4.319752 1.207416 -0.121423
H 1.464295 -1.080967 1.332048
H 0.857483 -0.984633 -1.679841
H 2.110271 -2.015296 -0.959471
H -0.879050 2.761997 2.559072
H -2.882295 2.912850 1.079106
H -1.112043 -1.867694 -1.298583
H 2.045459 0.956289 2.082853
H 1.040140 1.777508 3.301646
H 1.090870 -0.000351 3.249099
H -4.266798 1.995357 -0.739568
H -3.109267 -1.693357 -2.719673
H 1.819245 1.615264 -2.282368
H -4.709018 0.234460 -2.470741
H 4.066787 2.965128 -1.433317
H 5.211446 1.301848 0.491792
H -0.021886 -4.378507 0.032701


