%chk=000076806.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076806

0 1
 O   0.2493000     -1.1000000E-03   2.259800    
 O    2.498500      3.3000000E-03  -1.139100    
 O   -1.371900     -3.3000000E-03   3.912300    
 O    2.969000       4.709800     -0.9746000    
 O    2.981400      -4.701900     -0.9785000    
 O   -2.926500     -1.9999999E-04  -3.202100    
 O   -5.029500     -3.1000001E-03  -2.339400    
 C   0.3122000     -1.9999999E-04  0.7982000    
 C   -1.137700     -1.8000000E-03  0.4350000    
 C    1.030500       1.259500      0.3566000    
 C    1.033800      -1.257800      0.3555000    
 C   -1.908500     -3.4000000E-03   1.583600    
 C    2.058200       1.183200     -0.5902000    
 C    2.061500      -1.178200     -0.5910000    
 C   -1.033400     -2.6000000E-03   2.745800    
 C   -1.744300     -1.9000000E-03 -0.8111000    
 C   0.6724000       2.526100      0.8512000    
 C   0.6789000      -2.525700      0.8492000    
 C   -3.290900     -4.9999999E-03   1.556700    
 C   -3.141000     -3.5999999E-03 -0.8706000    
 C    2.704400       2.339600      -1.040100    
 C    2.711400      -2.332500      -1.041100    
 C   -3.908900     -4.9000001E-03  0.3060000    
 C    1.322000       3.679300      0.4076000    
 C    1.332000      -3.676800      0.4052000    
 C    2.336800       3.586000     -0.5397000    
 C    2.347100      -3.580200     -0.5413000    
 C   -3.806900     -2.7000001E-03  -2.163900    
 H   -1.118700     -5.0000002E-04  -1.697800    
 H  -0.1229000       2.629700       1.585100    
 H  -0.1164000      -2.631700       1.582600    
 H   -3.879900     -6.0000001E-03   2.466700    
 H    3.498300       2.259600      -1.779200    
 H    3.505800      -2.256900      -1.780000    
 H   -4.995300     -5.9000002E-03  0.2613000    
 H    1.027200       4.647300      0.8036000    
 H    1.034500      -4.642900      0.8044000    
 H    3.643600       4.459000      -1.628900    
 H    2.601500      -5.475100     -0.5271000    
 H   -3.384900      8.9999998E-04  -4.069400    


%chk=000076806-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000076806

0 1
O 0.422486 0.017722 2.225800
O 3.050511 -0.007063 -0.542881
O -1.085942 0.025238 4.014012
O 3.066243 4.821048 -0.910875
O 3.203817 -4.757462 -0.847814
O -3.337390 -0.027293 -3.131843
O -5.373705 -0.024038 -2.014582
C 0.340978 0.002728 0.651296
C -1.170716 -0.001832 0.430801
C 1.039640 1.253035 0.167581
C 1.043300 -1.256768 0.194659
C -1.857013 0.006073 1.661018
C 2.355801 1.200895 -0.349467
C 2.362255 -1.214863 -0.325151
C -0.875985 0.013972 2.786698
C -1.876501 -0.010698 -0.782244
C 0.442111 2.535589 0.296561
C 0.449353 -2.533743 0.354172
C -3.265399 0.005926 1.730415
C -3.295241 -0.011650 -0.727453
C 3.065530 2.361044 -0.721855
C 3.073999 -2.378265 -0.670332
C -3.984552 -0.003415 0.519503
C 1.118492 3.708012 -0.065047
C 1.130948 -3.714285 0.018676
C 2.440746 3.615191 -0.571840
C 2.454485 -3.628691 -0.492106
C -4.120751 -0.020423 -1.969529
H -1.368132 -0.015326 -1.749857
H -0.572743 2.609691 0.701264
H -0.564943 -2.600492 0.761294
H -3.768869 0.013011 2.701953
H 4.080906 2.254727 -1.118569
H 4.088298 -2.310453 -1.068815
H -5.079128 -0.003874 0.506073
H 0.659639 4.694060 0.041287
H 0.649058 -4.689451 0.157641
H 3.988179 4.670599 -1.236925
H 2.698077 -5.589956 -0.675346
H -3.935143 -0.031120 -3.926875


