%chk=000082649.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082649

0 1
 O    1.710200       2.693300      0.7109000    
 O    3.598600      -1.690500      0.6454000    
 O   -3.197200       1.150100      -1.268100    
 C    2.788600       1.855100      0.4830000    
 C   0.4983000       2.312000      0.2222000    
 C    3.725500     -0.3492000      0.4528000    
 C   -1.964300       1.537700     -0.7710000    
 C    2.638900      0.4948000      0.6823000    
 C  -0.6399000       2.415000       1.021800    
 C   0.3947000       1.818400      -1.078300    
 C   -1.882000       2.024500      0.5209000    
 C  -0.8473000       1.428000      -1.579300    
 C    3.987900       2.400400      6.1900001E-02
 C    4.943400      0.1817000      2.7700000E-02
 C    5.074600       1.556500     -0.1677000    
 C    2.464700      -2.308300      0.1451000    
 C   -3.993600      0.3930000     -0.4650000    
 C    2.040300      -2.002400      -1.135300    
 C    1.785300      -3.214500      0.9389000    
 C   -3.453000     -0.6840000      0.2376000    
 C   -5.350400      0.6933000     -0.3453000    
 C   0.8975000      -2.623900      -1.639100    
 C   0.6427000      -3.836100      0.4353000    
 C   -4.269300      -1.460700       1.060000    
 C   -6.166700     -8.3300002E-02  0.4770000    
 C   0.1988000      -3.540700     -0.8537000    
 C   -5.626100      -1.160300       1.179700    
 H    1.703800      9.0200000E-02   1.060300    
 H  -0.5658000       2.803200       2.034000    
 H    1.260300       1.747500      -1.731700    
 H   -2.756400       2.136800       1.155100    
 H  -0.9273000       1.047200      -2.593000    
 H    4.091300       3.470400     -9.0999998E-02
 H    5.793200     -0.4707000     -0.1529000    
 H    6.022700       1.970000     -0.4989000    
 H    2.579000      -1.309300      -1.774700    
 H    2.129100      -3.444600       1.942800    
 H   -2.404800     -0.9563000      0.1451000    
 H   -5.777100       1.531000     -0.8900000    
 H   0.5537000      -2.396700      -2.644000    
 H   9.7999997E-02  -4.549400       1.047000    
 H   -3.849600      -2.302700       1.602600    
 H   -7.223200      0.1504000      0.5701000    
 H  -0.6911000      -4.024400      -1.245700    
 H   -6.262000      -1.765800       1.818900    


%chk=000082649-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000082649

0 1
O 1.646149 2.602368 0.564550
O 4.135617 -1.678011 0.351549
O -3.518050 1.072580 -1.095529
C 2.818022 1.826417 0.388509
C 0.375434 2.116198 0.160223
C 4.039029 -0.266433 0.279406
C -2.228717 1.389016 -0.598340
C 2.803516 0.413304 0.380296
C -0.711697 2.424680 1.006408
C 0.165143 1.464250 -1.077366
C -2.021589 2.067147 0.626286
C -1.142535 1.093831 -1.451396
C 4.026999 2.553967 0.314994
C 5.263954 0.432227 0.205071
C 5.243855 1.843993 0.231188
C 3.104700 -2.513913 -0.152149
C -4.548797 0.632211 -0.224885
C 2.407725 -2.231365 -1.350440
C 2.878903 -3.713756 0.556834
C -4.303199 -0.151380 0.927286
C -5.866132 0.944121 -0.627632
C 1.460616 -3.164279 -1.827858
C 1.932940 -4.639236 0.063937
C -5.401626 -0.613852 1.686167
C -6.952900 0.471078 0.139327
C 1.216356 -4.367624 -1.125451
C -6.727193 -0.305359 1.300729
H 1.866000 -0.140378 0.478975
H -0.520676 2.952167 1.945325
H 1.008854 1.256728 -1.742508
H -2.869888 2.317529 1.270232
H -1.337364 0.590383 -2.402633
H 3.994008 3.646517 0.330667
H 6.197480 -0.132135 0.134987
H 6.187295 2.397156 0.176057
H 2.611898 -1.310086 -1.905149
H 3.445381 -3.902894 1.473508
H -3.279278 -0.405838 1.218091
H -6.016696 1.545296 -1.529271
H 0.919464 -2.951783 -2.756632
H 1.755053 -5.571092 0.611783
H -5.217022 -1.224354 2.577131
H -7.975795 0.712144 -0.170168
H 0.481191 -5.086018 -1.502870
H -7.572431 -0.668821 1.894462


