%chk=000104539.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104539

0 1
 O   -4.379300       1.089900      0.4470000    
 C   0.4576000     -0.7425000      0.4647000    
 C   0.6279000      0.6099000       1.100900    
 C    1.604000       1.470800      0.2902000    
 C    1.737700      -1.508100      0.2451000    
 C  -0.7385000      -1.217000      8.8299997E-02
 C    2.827900      0.7205000     -0.1820000    
 C    2.877500     -0.6242000     -0.1826000    
 C   -2.011600     -0.4479000      0.3518000    
 C  -0.8758000      -2.554500     -0.5821000    
 C    3.977500       1.559100     -0.6558000    
 C   -2.399200      0.4621000     -0.8120000    
 C   -3.705700       1.181900     -0.5737000    
 H  -0.2881000       1.189100       1.227800    
 H    1.030600      0.4613000       2.112100    
 H    1.910300       2.319900      0.9135000    
 H    1.090500       1.884400     -0.5871000    
 H    1.637700      -2.275600     -0.5285000    
 H    2.020100      -2.013700       1.176200    
 H    3.781800      -1.129400     -0.5127000    
 H   -1.976100      0.1115000       1.293000    
 H   -2.824500      -1.166600      0.5262000    
 H  -0.6715000      -2.466700      -1.653900    
 H  -0.2205000      -3.313900     -0.1446000    
 H   -1.893600      -2.945000     -0.4725000    
 H    4.818900      0.9492000      -1.001200    
 H    4.340200       2.199500      0.1547000    
 H    3.663300       2.196100      -1.488900    
 H   -1.631800       1.224400     -0.9843000    
 H   -2.511700     -0.1195000      -1.734000    
 H   -4.035600       1.831200      -1.403000    


%chk=000104539-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000104539

0 1
O -4.554086 1.136854 0.432909
C 0.489467 -0.671887 0.457128
C 0.803398 0.623004 1.192100
C 1.761541 1.522519 0.366333
C 1.747028 -1.473483 0.119143
C -0.764891 -1.108891 0.119846
C 2.978450 0.752576 -0.130305
C 2.956098 -0.606216 -0.203142
C -2.045828 -0.333296 0.406802
C -0.986065 -2.435215 -0.612122
C 4.191607 1.572174 -0.525399
C -2.682941 0.230026 -0.886616
C -3.987726 0.975636 -0.675017
H -0.105535 1.188375 1.456676
H 1.316786 0.373032 2.144549
H 2.093648 2.380490 0.986307
H 1.217798 1.960602 -0.497499
H 1.562096 -2.144893 -0.741032
H 2.003455 -2.148617 0.968301
H 3.855827 -1.141532 -0.540936
H -1.884280 0.502812 1.106470
H -2.787518 -0.994771 0.896695
H -0.785718 -2.352755 -1.699857
H -0.339235 -3.241193 -0.223275
H -2.032648 -2.772245 -0.498478
H 5.010640 0.937757 -0.907337
H 4.579133 2.154593 0.334381
H 3.933656 2.308204 -1.313333
H -1.981295 0.919573 -1.404379
H -2.881611 -0.576517 -1.625628
H -4.441251 1.399484 -1.610685


