%chk=000162868.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162868

0 1
 O    2.686900      0.8978000      0.1465000    
 O   0.6046000      0.1081000     -0.5494000    
 O  -0.1471000      0.2113000       1.686400    
 O    1.813000      -2.330400      -1.324700    
 O    4.650100      -1.974900      -2.035300    
 O    6.047700     -0.5549000      5.8899999E-02
 O    3.910400       2.565100       1.957400    
 O   -3.139900      -2.771300      0.1700000    
 O   -4.990400       2.174500      -1.610000    
 O   -3.769300      -2.006700       2.262600    
 O   -3.170100       1.367700      -2.712700    
 C    2.551600      -1.114800      -1.205700    
 C    4.009500      -1.437000     -0.8774000    
 C    1.908000     -0.2691000     -0.1070000    
 C    4.772300     -0.1811000     -0.4555000    
 C    3.999600      0.5887000      0.6181000    
 C   -1.446200       1.314600     -0.1222000    
 C   -2.365000      6.6699997E-02 -0.2570000    
 C  -6.7000002E-02  0.9027000      0.4305000    
 C   -2.192500     -0.8293000      0.9409000    
 C    4.683400       1.905800      0.9710000    
 C   -3.820600      0.4555000     -0.5475000    
 C   -2.028000       2.418200      0.7193000    
 C   -1.169300     -0.6947000       1.794700    
 C   -3.127400      -1.920100       1.227100    
 C   -3.918500       1.352400      -1.747100    
 C   -2.272500       3.653300      0.2687000    
 C   -4.013300      -3.897800      0.2996000    
 H    2.479300     -0.6050000      -2.173700    
 H    4.075100      -2.212000     -0.1048000    
 H    1.818000     -0.8662000      0.8099000    
 H    4.946800      0.4556000      -1.331500    
 H    3.908200     -3.1000001E-03   1.539200    
 H   -1.267100       1.705100      -1.133200    
 H   -2.001200     -0.5077000      -1.122500    
 H   0.5197000       1.813900      0.6031000    
 H    5.690900       1.742400       1.365300    
 H    4.738700       2.563000      9.6699998E-02
 H   -4.268500      0.9479000      0.3241000    
 H   -4.425600     -0.4330000     -0.7632000    
 H   -2.263300       2.197700       1.757600    
 H   -1.031200      -1.297300       2.683100    
 H    1.862900      -2.798500     -0.4738000    
 H    4.592700      -1.314700      -2.746900    
 H    5.903900      -1.109200      0.8449000    
 H    4.361100       3.401700       2.163400    
 H   -2.694100       4.404400      0.9275000    
 H   -2.059600       3.937400     -0.7559000    
 H   -5.087100       2.779600      -2.376000    
 H   -3.717000      -4.510200       1.156500    
 H   -5.049700      -3.562600      0.4036000    
 H   -3.928500      -4.500000     -0.6089000    


%chk=000162868-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162868

0 1
O 2.729931 1.062842 0.075437
O 0.649962 -0.020958 -0.058820
O -0.362264 0.000734 2.117381
O 2.032141 -2.595305 -0.495484
O 4.731323 -2.259833 -1.502141
O 6.230660 -0.179242 -0.236124
O 4.387499 3.062414 1.544961
O -3.784824 -2.424124 -0.255261
O -4.925698 1.828605 -2.165155
O -3.354522 -2.929685 1.976580
O -2.656866 1.649307 -2.601627
C 2.595045 -1.259569 -0.716586
C 4.105806 -1.399238 -0.493527
C 2.044797 -0.218814 0.271123
C 4.816956 -0.039721 -0.586715
C 4.174775 0.955541 0.406623
C -1.375840 1.275493 0.218841
C -2.236981 0.028105 -0.201274
C -0.077183 0.806742 0.887149
C -2.277627 -0.986980 0.944063
C 4.776474 2.348943 0.319599
C -3.651195 0.465295 -0.655988
C -2.100687 2.228122 1.156123
C -1.394106 -0.914665 1.992523
C -3.169848 -2.171241 0.988639
C -3.636623 1.353679 -1.878946
C -2.354452 3.528016 0.868410
C -4.646023 -3.629997 -0.296731
H 2.384519 -0.898510 -1.744622
H 4.269866 -1.825850 0.521134
H 2.156302 -0.555341 1.326541
H 4.706135 0.341202 -1.625181
H 4.301502 0.577007 1.443634
H -1.093733 1.813256 -0.701907
H -1.731205 -0.431919 -1.073338
H 0.555293 1.628638 1.258239
H 5.877109 2.242994 0.245115
H 4.386169 2.857724 -0.586634
H -4.194573 0.991247 0.149382
H -4.246930 -0.431068 -0.904453
H -2.419491 1.816666 2.125564
H -1.427760 -1.616676 2.830592
H 1.052724 -2.552636 -0.638304
H 4.253854 -3.128483 -1.499064
H 6.582544 -0.950668 -0.752741
H 4.779748 3.970700 1.532224
H -2.872574 4.181713 1.579063
H -2.047756 3.976596 -0.085049
H -4.887760 2.393763 -2.984411
H -4.049639 -4.531360 -0.077559
H -5.457941 -3.548032 0.445030
H -5.042631 -3.655929 -1.321630


