%chk=000041488.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041488

0 1
 O   -3.555200      -2.233500       1.085200    
 O   -2.468900      -2.955300     -0.7506000    
 O    5.488900     -0.5809000      0.1310000    
 C   -2.350700      0.4292000      0.2759000    
 C   -3.094800     -0.5913000     -0.6605000    
 C  -0.8867000      0.1405000      0.4217000    
 C   -2.560200       1.906400     -0.1458000    
 C  -0.5004000     -0.8669000       1.477000    
 C   -2.581600     -0.5053000      -2.117100    
 C   -4.602300     -0.2328000     -0.7345000    
 C   0.9414000     -0.7107000       1.975800    
 C   -1.977500       2.959600      0.8099000    
 C   3.5799999E-02  0.7199000     -0.3655000    
 C   -2.990500      -2.034000     -0.1308000    
 C    1.907400     -0.3502000      0.8771000    
 C    1.456400      0.3750000     -0.2403000    
 C   -2.147400       4.388900      0.3186000    
 C    3.267500     -0.6612000      0.9991000    
 C    2.370600      0.7714000      -1.223700    
 C    4.169100     -0.2706000      9.6000005E-03
 C    3.721600      0.4448000      -1.099400    
 C    6.357500     -0.1431000     -0.9128000    
 H   -2.802300      0.3488000       1.275700    
 H   -3.636700       2.111600     -0.1848000    
 H   -2.199800       2.102600      -1.161000    
 H   -1.167700     -0.8033000       2.344400    
 H  -0.6118000      -1.873400       1.057700    
 H   -2.698600      0.4922000      -2.550200    
 H   -1.528300     -0.7938000      -2.193100    
 H   -3.135300      -1.200500      -2.760700    
 H   -5.172000      -1.046600      -1.200000    
 H   -5.023600     -8.0700003E-02  0.2658000    
 H   -4.792200      0.6687000      -1.326000    
 H    1.249400      -1.641500       2.467000    
 H   0.9806000      8.5199997E-02   2.730800    
 H  -0.9102000       2.797600      0.9856000    
 H   -2.469200       2.861900       1.785600    
 H  -0.2130000       1.413000      -1.159900    
 H   -1.732900       5.093800       1.046100    
 H   -1.629200       4.537400     -0.6341000    
 H   -3.205600       4.629300      0.1758000    
 H    3.626100      -1.204800       1.869900    
 H    2.041600       1.333200      -2.094900    
 H   -3.475400      -3.166400       1.377500    
 H    4.368900      0.7818000      -1.902000    
 H    6.387900      0.9497000     -0.9795000    
 H    6.103900     -0.6109000      -1.870100    
 H    7.368000     -0.4753000     -0.6528000    


%chk=000041488-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000041488

0 1
O -3.421778 -2.139165 1.064853
O -2.294995 -2.887139 -0.811626
O 5.583392 -0.718201 0.193868
C -2.368927 0.497921 0.231816
C -3.123670 -0.528299 -0.742254
C -0.872640 0.183758 0.368458
C -2.647730 1.976984 -0.157288
C -0.427000 -0.809240 1.446301
C -2.614174 -0.442416 -2.198493
C -4.665079 -0.289456 -0.703170
C 0.981508 -0.476987 1.991151
C -2.202501 2.983663 0.930093
C 0.090088 0.709694 -0.452981
C -2.878757 -1.950890 -0.223002
C 1.985365 -0.267235 0.866806
C 1.515499 0.367439 -0.328763
C -2.501341 4.446238 0.536445
C 3.340902 -0.606560 0.994534
C 2.446673 0.658614 -1.354464
C 4.257131 -0.322493 -0.051965
C 3.812968 0.319097 -1.233638
C 6.571088 -0.454508 -0.853891
H -2.831364 0.332904 1.227223
H -3.732633 2.115241 -0.327331
H -2.148434 2.232317 -1.112496
H -1.156404 -0.824723 2.277366
H -0.413479 -1.834019 1.015788
H -2.813364 0.562059 -2.611414
H -1.532961 -0.645527 -2.257443
H -3.129158 -1.185100 -2.832575
H -5.197324 -1.120714 -1.201045
H -5.035072 -0.219513 0.333637
H -4.924873 0.637015 -1.242923
H 1.324939 -1.271183 2.679297
H 0.920470 0.460150 2.585950
H -1.119809 2.863289 1.122770
H -2.721071 2.742240 1.880866
H -0.185112 1.399689 -1.261240
H -2.183698 5.149640 1.327947
H -1.968470 4.722958 -0.393110
H -3.583118 4.601311 0.361225
H 3.720307 -1.090680 1.900923
H 2.097820 1.149519 -2.271461
H -3.236882 -3.073890 1.353120
H 4.504579 0.550915 -2.048927
H 6.668312 0.630808 -1.053235
H 6.312563 -0.980948 -1.793563
H 7.520809 -0.845078 -0.459442


