%chk=000168724.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168724

0 1
 O    1.252700      -1.935500      0.3650000    
 O    3.201800      -3.179900      0.3386000    
 C    3.823000     -0.1058000     -0.6519000    
 C    2.634700      0.4065000      8.7600000E-02
 C    3.313700     -0.8355000      0.5563000    
 C    3.575300     -0.6821000      -2.005500    
 C    5.141900      0.5826000     -0.5304000    
 C    2.757700       1.617000      0.9219000    
 C    2.600900      -2.117400      0.4085000    
 C    2.630000       2.900800      0.5350000    
 C    2.327600       3.322400     -0.8751000    
 C    2.786100       4.028400       1.517000    
 C   0.4764000      -3.129300      0.2219000    
 C  -0.9792000      -2.766200      0.1901000    
 C   -1.405200      -1.697400     -0.5907000    
 C   -1.888800      -3.502100      0.9413000    
 C   -2.758500      -1.360300     -0.6204000    
 C   -3.242100      -3.164700      0.9116000    
 C   -3.677000      -2.093600      0.1309000    
 C   -3.224000     -0.2144000      -1.454100    
 C   -3.224100       1.115000     -0.7266000    
 C   -2.088900       1.904100     -0.7647000    
 C   -4.359700       1.507300     -4.1299999E-02
 C   -2.089300       3.127900     -9.5100001E-02
 C   -4.360000       2.730900      0.6285000    
 C   -3.225000       3.541600      0.6015000    
 H    1.670800      0.3313000     -0.4052000    
 H    3.918300     -0.7796000       1.457200    
 H    2.564800      -1.088500      -2.123400    
 H    3.701700      8.6300001E-02  -2.776300    
 H    4.285300      -1.489400      -2.215400    
 H    5.171800       1.473600      -1.166900    
 H    5.373800      0.8935000      0.4941000    
 H    5.950300     -8.4399998E-02 -0.8501000    
 H    2.964300       1.431600       1.975100    
 H    2.213300       2.475800      -1.558100    
 H    3.136400       3.951000      -1.261900    
 H    1.396800       3.898200     -0.9057000    
 H    3.007300       3.672300       2.528600    
 H    1.864800       4.618000       1.566200    
 H    3.605100       4.687200       1.210200    
 H   0.7416000      -3.635900     -0.7139000    
 H   0.6928000      -3.794000       1.066700    
 H  -0.6924000      -1.129800      -1.183800    
 H   -1.563400      -4.339600       1.552200    
 H   -3.957200      -3.736200       1.496100    
 H   -4.734300      -1.842400      0.1169000    
 H   -4.232100     -0.4185000      -1.841700    
 H   -2.606300     -0.1348000      -2.359600    
 H   -1.199100       1.591100      -1.303300    
 H   -5.248600      0.8840000     -1.5000000E-02
 H   -1.205100       3.758300     -0.1150000    
 H   -5.244100       3.052700       1.171000    
 H   -3.225300       4.494200       1.123100    


%chk=000168724-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168724

0 1
O 1.348577 -0.867713 1.256068
O 1.851376 -1.824856 -0.817575
C 2.454812 1.778517 -0.037119
C 3.425703 1.154431 0.981119
C 2.886007 0.283609 -0.204380
C 1.042276 2.120719 0.431869
C 2.985739 2.735729 -1.104931
C 4.871342 1.489841 1.057026
C 2.000194 -0.887260 0.008542
C 5.666117 1.443323 2.168316
C 5.198922 1.021640 3.550288
C 7.135024 1.825579 2.086718
C 0.406979 -2.012543 1.533233
C -1.010113 -1.674822 1.125078
C -1.431252 -1.859924 -0.217654
C -1.930389 -1.169088 2.074874
C -2.746370 -1.536799 -0.625671
C -3.248588 -0.844636 1.680382
C -3.652166 -1.023517 0.340300
C -3.193696 -1.768785 -2.068431
C -3.893547 -0.579627 -2.726503
C -3.314266 0.715938 -2.688799
C -5.119276 -0.752263 -3.416759
C -3.941200 1.806761 -3.329130
C -5.751519 0.337839 -4.059189
C -5.163524 1.622147 -4.018460
H 2.945331 0.897833 1.930525
H 3.579415 0.105096 -1.032761
H 0.678362 1.417590 1.197611
H 1.029112 3.141623 0.858707
H 0.330806 2.099836 -0.416260
H 3.087817 3.756227 -0.689330
H 3.970187 2.432368 -1.500646
H 2.283313 2.783450 -1.957751
H 5.342837 1.805153 0.114369
H 4.135557 0.736030 3.584619
H 5.356780 1.839216 4.281821
H 5.791879 0.157774 3.911487
H 7.427803 2.123416 1.064833
H 7.783258 0.981593 2.397263
H 7.366094 2.668176 2.769206
H 0.790034 -2.896226 0.994448
H 0.497709 -2.149845 2.622334
H -0.710331 -2.249682 -0.947135
H -1.616067 -1.026893 3.116267
H -3.959252 -0.453394 2.417082
H -4.671398 -0.758588 0.034616
H -3.875735 -2.641718 -2.102789
H -2.306545 -2.049570 -2.669948
H -2.371379 0.865654 -2.148785
H -5.581839 -1.746832 -3.452653
H -3.479269 2.800136 -3.291529
H -6.699363 0.184827 -4.587892
H -5.650976 2.468812 -4.514924


