%chk=000169742.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169742

0 1
 O   0.3117000       2.105800      0.4399000    
 O    4.947500      -2.360200      0.6274000    
 O   0.2885000      -2.696500     -0.4000000    
 C    2.535300       1.072200      0.2681000    
 C    1.936100     -0.2505000     -0.2645000    
 C    1.631800       2.272200     -0.1185000    
 C    2.771900      -1.438700      0.2565000    
 C    4.006200       1.207800     -0.1589000    
 C    4.264800      -1.332700     -0.1004000    
 C    4.834100      2.2500001E-02  0.3351000    
 C   0.4627000     -0.3144000      8.4799998E-02
 C  -0.2421000      0.8549000      0.4042000    
 C    1.491000       2.506400      -1.631900    
 C    2.153000       3.574000      0.5166000    
 C    4.508800      -1.597300      -1.590800    
 C  -0.2516000      -1.523200      3.6200002E-02
 C   -1.603400      0.8033000      0.7278000    
 C   -2.286700     -0.4088000      0.7026000    
 C   -1.612200      -1.571400      0.3488000    
 C   -3.738600     -0.4570000       1.037700    
 C   -4.676900     -0.2522000     -0.1662000    
 C   -6.156800     -0.2426000      0.2293000    
 C   -7.053300     -1.1400000E-02 -0.9876000    
 C   -8.521700      3.7799999E-02 -0.5961000    
 H    2.521200       1.011300       1.368700    
 H    1.989100     -0.2561000      -1.360700    
 H    2.660800      -1.517300       1.347500    
 H    2.432400      -2.399800     -0.1333000    
 H    4.445400       2.120400      0.2573000    
 H    4.086500       1.286400      -1.248500    
 H    5.871900      0.1245000     -6.3999998E-03
 H    4.888500      5.5300001E-02   1.432000    
 H    2.455100       2.715100      -2.105000    
 H    1.033100       1.653100      -2.141300    
 H   0.8270000       3.357200      -1.827000    
 H    2.286800       3.453400       1.597700    
 H    3.102000       3.900100      8.0899999E-02
 H    1.427800       4.386800      0.3877000    
 H    5.583300      -1.605800      -1.807900    
 H    4.131700      -2.585500      -1.878800    
 H    4.037300     -0.8519000      -2.236800    
 H    4.579400      -3.218500      0.3559000    
 H   -2.129300       1.719900      0.9868000    
 H   -2.155700      -2.512400      0.3005000    
 H   -3.971700      -1.417000       1.517500    
 H   -3.957600      0.3031000       1.799600    
 H  -0.3759000      -3.405300     -0.3653000    
 H   -4.499700      -1.045100     -0.9040000    
 H   -4.428500      0.6956000     -0.6608000    
 H   -6.415900      -1.196200      0.7047000    
 H   -6.330900      0.5469000      0.9704000    
 H   -6.901200     -0.8132000      -1.719500    
 H   -6.781700      0.9310000      -1.477300    
 H   -8.712500      0.8524000      0.1098000    
 H   -9.144500      0.2022000      -1.480900    
 H   -8.834900     -0.9019000     -0.1300000    


%chk=000169742-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169742

0 1
O 0.396100 2.096476 0.630699
O 5.073720 -2.287112 0.831854
O 0.342307 -2.591580 -0.769829
C 2.599591 1.095511 0.223390
C 1.987314 -0.245083 -0.276091
C 1.696345 2.308850 -0.114454
C 2.811594 -1.402373 0.360804
C 4.067572 1.212325 -0.249634
C 4.311211 -1.342539 -0.033323
C 4.911988 0.039297 0.303341
C 0.491048 -0.308237 0.024582
C -0.209752 0.835604 0.501909
C 1.370234 2.459375 -1.614903
C 2.218023 3.625233 0.479210
C 4.539914 -1.735818 -1.509949
C -0.294923 -1.474686 -0.173550
C -1.574147 0.784296 0.876252
C -2.310000 -0.409626 0.733341
C -1.658845 -1.541847 0.182461
C -3.788846 -0.466782 1.087174
C -4.711989 -0.174654 -0.128947
C -6.213381 -0.245208 0.227089
C -7.138893 0.040556 -0.977676
C -8.638281 -0.034949 -0.616137
H 2.614348 1.052039 1.334882
H 2.119181 -0.307786 -1.378124
H 2.741006 -1.331321 1.464083
H 2.386322 -2.374924 0.058416
H 4.510869 2.162827 0.100881
H 4.112035 1.228218 -1.357583
H 5.949623 0.090332 -0.077021
H 4.968021 0.112876 1.406576
H 2.296090 2.598256 -2.202135
H 0.840660 1.574065 -2.006063
H 0.725047 3.341076 -1.772297
H 2.520676 3.489721 1.532435
H 3.081388 4.004048 -0.094397
H 1.418595 4.385443 0.445196
H 5.623401 -1.790124 -1.716889
H 4.090433 -2.724031 -1.726641
H 4.090213 -1.010142 -2.211004
H 4.718804 -3.200720 0.676883
H -2.042991 1.696124 1.259711
H -2.221365 -2.473999 0.031676
H -4.043197 -1.467247 1.491101
H -4.012512 0.266530 1.886180
H -0.310270 -3.326537 -0.883219
H -4.486827 -0.897925 -0.938970
H -4.469188 0.828848 -0.532561
H -6.448109 -1.250146 0.637686
H -6.434437 0.480049 1.038266
H -6.915301 -0.683163 -1.788041
H -6.905446 1.045038 -1.385836
H -8.893899 0.701490 0.169099
H -9.278233 0.171191 -1.493812
H -8.903438 -1.038437 -0.232491


