%chk=000068926.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068926

0 1
 O    4.970100      0.8517000     -9.8999999E-03
 O    4.577500      -1.728600      -1.324300    
 O   -6.440500     -0.9314000       1.150300    
 C    1.585800      0.1449000     -0.2622000    
 C   0.5170000       1.161600      0.2049000    
 C    2.742100      0.4592000      0.7453000    
 C  -0.7491000       1.178600     -0.6662000    
 C    1.305100       2.457300      0.3578000    
 C    2.683400       2.009000      0.8784000    
 C   0.9455000      -1.252200     -0.1831000    
 C   -1.354700     -0.2380000     -0.7053000    
 C  -0.3471000      -1.340600      -1.016900    
 C    2.062300      0.4075000      -1.722900    
 C   -1.727800       2.251600     -0.1566000    
 C    2.597800     -0.1943000       2.130100    
 C    4.093300      2.3600001E-02  0.2384000    
 C   -2.679700     -0.4530000     -0.5077000    
 C   -3.120000       2.027200     -0.7240000    
 C   -3.611200      0.6659000     -0.3091000    
 C    4.313600      -1.470500      4.5200001E-02
 C   -3.366200      -1.802600     -0.5345000    
 C   -4.841400      0.5145000      0.2089000    
 C   -4.339800      -1.963200      0.6273000    
 C    5.495900      -1.967600      0.8572000    
 C   -5.312000     -0.8108000      0.6789000    
 H   0.1859000      0.8786000       1.216700    
 H  -0.4965000       1.451600      -1.697800    
 H   0.8251000       3.150500       1.056200    
 H    1.409600       2.975700     -0.6021000    
 H    3.451000       2.543200      0.3089000    
 H    2.804400       2.321000       1.922900    
 H   0.6930000      -1.513000      0.8510000    
 H    1.621600      -2.025700     -0.5559000    
 H  -0.7554000      -2.341300     -0.8648000    
 H  -0.1040000      -1.285100      -2.084800    
 H    2.682200     -0.4104000      -2.095600    
 H    1.234300      0.4937000      -2.430600    
 H    2.644400       1.330300      -1.814300    
 H   -1.370300       3.247400     -0.4455000    
 H   -1.775600       2.240100      0.9408000    
 H    3.453900      5.9000000E-02   2.768400    
 H    1.701900      0.1565000       2.652800    
 H    2.543900      -1.285800       2.100300    
 H   -3.099800       2.094300      -1.819200    
 H   -3.787100       2.821000     -0.3672000    
 H    3.445800      -2.058300      0.3294000    
 H   -3.912500      -1.891500      -1.483400    
 H   -2.671500      -2.643300     -0.4989000    
 H   -5.519500       1.351600      0.3344000    
 H   -3.808800      -2.009100       1.584800    
 H   -4.906200      -2.892100      0.4986000    
 H    6.420900      -1.454800      0.5698000    
 H    5.660800      -3.036400      0.6834000    
 H    5.338400      -1.805100       1.928000    
 H    5.413100      -1.290200      -1.559500    


%chk=000068926-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000068926

0 1
O 4.922450 0.763158 -0.538406
O 5.043143 -1.846213 -1.344063
O -6.746872 -0.934562 0.872900
C 1.581960 0.107360 -0.314420
C 0.541536 1.147101 0.210413
C 2.816031 0.410151 0.686844
C -0.772281 1.196345 -0.612759
C 1.351362 2.452627 0.362094
C 2.755878 1.975024 0.853049
C 0.928652 -1.292798 -0.235899
C -1.392887 -0.210927 -0.658912
C -0.416923 -1.323370 -1.024205
C 2.031434 0.405001 -1.774309
C -1.737018 2.261243 -0.043571
C 2.653950 -0.287026 2.067012
C 4.129422 -0.040566 0.033271
C -2.738555 -0.430946 -0.425293
C -3.154286 2.082983 -0.622889
C -3.676816 0.700977 -0.278974
C 4.523225 -1.538547 -0.004881
C -3.394520 -1.811979 -0.413798
C -4.991201 0.514908 0.102645
C -4.513718 -1.922174 0.649970
C 5.585094 -1.847865 1.076848
C -5.528057 -0.780950 0.544522
H 0.242255 0.816598 1.229576
H -0.518066 1.494118 -1.655491
H 0.885096 3.158179 1.071630
H 1.427702 2.974229 -0.611398
H 3.570494 2.443516 0.275397
H 2.914982 2.239781 1.914142
H 0.723411 -1.558337 0.818517
H 1.592043 -2.073249 -0.656076
H -0.875402 -2.318650 -0.903241
H -0.185139 -1.232139 -2.106656
H 2.702550 -0.392435 -2.144605
H 1.173713 0.458420 -2.465862
H 2.581803 1.357999 -1.852045
H -1.353151 3.272635 -0.271609
H -1.780182 2.168055 1.060403
H 3.463960 0.029215 2.749397
H 1.698886 0.003229 2.538668
H 2.673946 -1.388792 2.003460
H -3.108917 2.194117 -1.726950
H -3.841490 2.861598 -0.246567
H 3.644878 -2.191373 0.120527
H -3.841158 -2.002583 -1.412339
H -2.656263 -2.612967 -0.241603
H -5.688334 1.361646 0.127659
H -4.070226 -1.879894 1.666386
H -5.051393 -2.882973 0.569723
H 6.449958 -1.169490 0.964829
H 5.932116 -2.886689 0.944277
H 5.183696 -1.737975 2.100070
H 5.630130 -1.082547 -1.600608


