%chk=000068993.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068993

0 1
 O   8.3999997E-03   1.450700       1.665600    
 O  -0.4346000       3.447700       2.742700    
 O   -2.960900      -4.085700       1.503200    
 O    4.806100      0.2927000      -2.160400    
 C  -0.2716000      0.7951000      0.3755000    
 C   -1.185000       1.813300     -0.2412000    
 C  -0.9956000     -0.5359000      0.6140000    
 C    1.115500      0.6236000     -0.2544000    
 C   -1.320400       2.908400      0.5922000    
 C   -1.301100      -1.416200     -0.4366000    
 C    2.145700     -0.1117000      0.3699000    
 C  -0.5482000       2.691000       1.799800    
 C   -1.881100       1.781500      -1.442800    
 C   -1.345600     -0.8472000       1.928200    
 C    1.347100       1.227800      -1.497200    
 C   -1.971000      -2.629600     -0.1502000    
 C    3.405000     -0.2329000     -0.2645000    
 C   -2.109500       4.002600      0.2823000    
 C   -2.004100      -2.040400       2.209800    
 C    2.585500       1.108500      -2.121000    
 C  -0.9570000      -1.119000      -1.765300    
 C    1.942300     -0.7276000       1.615600    
 C   -2.315500      -2.926800       1.178400    
 C    3.608700      0.3834000      -1.509900    
 C   -2.686100       2.872600      -1.786800    
 C   -2.797300       3.977900     -0.9297000    
 C   -2.276800      -3.509800      -1.200900    
 C    4.423700     -0.9662000      0.3655000    
 C   -1.268500      -2.005200      -2.796800    
 C    2.965500      -1.452500       2.227000    
 C   -1.927300      -3.198300      -2.515100    
 C    4.203900      -1.571600       1.603100    
 H   -1.871000      0.9897000      -2.167100    
 H   -1.151000     -0.1869000       2.767600    
 H   0.6135000       1.829200      -2.019400    
 H   -2.201100       4.848700      0.9539000    
 H   -2.277600      -2.274100       3.235300    
 H    2.751500       1.587600      -3.082400    
 H  -0.3821000     -0.2743000      -2.086700    
 H    1.048100     -0.6411000       2.205900    
 H   -3.233400       2.865700      -2.725800    
 H   -3.428600       4.816000      -1.211400    
 H   -2.802600      -4.447000      -1.043000    
 H    5.414300      -1.078500     -6.5700002E-02
 H  -0.9822000      -1.772700      -3.818600    
 H    2.801300      -1.911900       3.197500    
 H   -2.168900      -3.887600      -3.319000    
 H    5.002000      -2.130300       2.083500    
 H   -2.747000      -4.782600      0.8638000    
 H    5.262200     -0.5276000      -1.916800    


%chk=000068993-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068993

0 1
O 0.054784 1.461716 1.763623
O -0.410123 3.460085 2.880026
O -3.439482 -3.870461 1.626269
O 4.888930 0.623497 -2.292995
C -0.244330 0.829115 0.400903
C -1.198567 1.860375 -0.229052
C -1.021307 -0.489107 0.661029
C 1.130195 0.725730 -0.282071
C -1.350030 2.960939 0.639910
C -1.200776 -1.508919 -0.351407
C 2.165535 -0.138966 0.246298
C -0.559074 2.742729 1.875131
C -1.914234 1.820752 -1.441613
C -1.657880 -0.650394 1.900594
C 1.427181 1.529910 -1.391650
C -2.021683 -2.674572 -0.050962
C 3.450642 -0.210637 -0.427366
C -2.186596 4.053125 0.334603
C -2.455709 -1.783226 2.203550
C 2.686333 1.485785 -2.045598
C -0.614689 -1.444130 -1.663988
C 1.992840 -0.931315 1.431415
C -2.636955 -2.783389 1.249349
C 3.679902 0.623029 -1.583953
C -2.759427 2.910953 -1.760463
C -2.893142 4.022247 -0.886945
C -2.208103 -3.685547 -1.050672
C 4.466131 -1.086454 0.079417
C -0.811268 -2.447025 -2.614120
C 3.003028 -1.768406 1.906968
C -1.618725 -3.583384 -2.310586
C 4.251382 -1.858327 1.221690
H -1.838296 0.965482 -2.119123
H -1.516594 0.108105 2.673950
H 0.670915 2.214415 -1.785896
H -2.278898 4.887009 1.037994
H -2.932815 -1.889143 3.181542
H 2.895293 2.120666 -2.910745
H 0.028218 -0.599342 -1.918871
H 1.056244 -0.859082 1.984642
H -3.324900 2.893615 -2.698782
H -3.554647 4.850847 -1.160907
H -2.827773 -4.569243 -0.843946
H 5.440558 -1.167614 -0.422340
H -0.338217 -2.362561 -3.598362
H 2.839792 -2.354938 2.817171
H -1.772822 -4.367174 -3.059461
H 5.038402 -2.521198 1.596357
H -3.491513 -4.554114 0.914460
H 5.559870 0.031042 -1.873416


