%chk=000028128.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028128

0 1
 O   -4.174000      -1.648900      -1.197700    
 O    8.231800      2.9000000E-03 -0.6123000    
 O    7.094900       1.729700      0.3379000    
 C   -1.670600      -1.140100      0.1524000    
 C   -2.986900     -0.4404000      0.5157000    
 C  -0.4671000     -0.2420000      0.4497000    
 C   -4.206100      -1.309800      0.1866000    
 C   0.8781000     -0.9069000      0.1402000    
 C   -5.541000     -0.6298000      0.5252000    
 C    2.076400      1.8300001E-02  0.3688000    
 C    3.416800     -0.6280000      2.0000001E-03
 C   -5.773200      0.7014000     -0.1988000    
 C    4.609100      0.3222000      0.1581000    
 C   -7.152100       1.275700      0.1312000    
 C    5.926100     -0.3196000     -0.2808000    
 C   -7.375300       2.615600     -0.5520000    
 C    7.113200      0.5997000     -0.1262000    
 H   -1.660200      -1.406800     -0.9108000    
 H   -1.582700      -2.072900      0.7221000    
 H   -2.992500     -0.1782000       1.580000    
 H   -3.025700      0.4923000     -5.8300000E-02
 H  -0.4838000      5.1899999E-02   1.506500    
 H  -0.5544000      0.6809000     -0.1371000    
 H   -4.137100      -2.247700      0.7507000    
 H   0.8785000      -1.241100     -0.9048000    
 H   0.9896000      -1.804800      0.7601000    
 H   -5.595900     -0.4672000       1.608600    
 H   -6.357000      -1.314100      0.2601000    
 H    1.943800      0.9290000     -0.2283000    
 H    2.100100      0.3290000       1.420400    
 H    3.574200      -1.514800      0.6280000    
 H    3.371800     -0.9768000      -1.037300    
 H   -5.011600       1.430200      9.8899998E-02
 H   -5.685800      0.5597000      -1.282400    
 H    4.433800       1.230000     -0.4328000    
 H    4.685300      0.6419000       1.204800    
 H   -7.933100      0.5750000     -0.1861000    
 H   -7.252400       1.405000       1.215100    
 H   -4.940300      -2.219800      -1.377900    
 H    6.114500      -1.217600      0.3183000    
 H    5.854800     -0.6073000      -1.336000    
 H   -6.630500       3.349900     -0.2289000    
 H   -7.310900       2.516300      -1.640300    
 H   -8.367200       3.006600     -0.3046000    
 H    9.018400      0.5843000     -0.5374000    


%chk=000028128-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028128

0 1
O -4.216839 -1.540215 -1.350147
O 8.451181 -0.252983 -0.224229
O 7.284185 1.688744 0.280148
C -1.639246 -1.055205 0.105945
C -2.984556 -0.331626 0.330568
C -0.419574 -0.116803 0.241105
C -4.201372 -1.243418 0.104711
C 0.930421 -0.842471 0.044679
C -5.549104 -0.638090 0.561805
C 2.152004 0.097576 0.153813
C 3.501439 -0.631566 -0.032727
C -5.907422 0.722825 -0.076038
C 4.716671 0.315984 0.071506
C -7.348511 1.171465 0.254691
C 6.051173 -0.429374 -0.118400
C -7.703479 2.547355 -0.349502
C 7.265357 0.468973 0.007459
H -1.650823 -1.513950 -0.901367
H -1.543016 -1.888374 0.834368
H -3.028984 0.072696 1.362517
H -3.060190 0.529189 -0.361407
H -0.432510 0.367883 1.240517
H -0.506416 0.702762 -0.502551
H -4.043738 -2.195799 0.663122
H 0.936395 -1.338306 -0.948507
H 1.023225 -1.653595 0.797255
H -5.529501 -0.537918 1.667144
H -6.358193 -1.367215 0.334881
H 2.062501 0.903241 -0.604297
H 2.140964 0.600301 1.143482
H 3.590533 -1.434682 0.728983
H 3.508308 -1.137909 -1.020957
H -5.199170 1.500423 0.273560
H -5.780629 0.653058 -1.174947
H 4.632114 1.119282 -0.685415
H 4.715843 0.822945 1.055436
H -8.062453 0.407923 -0.117897
H -7.479427 1.205764 1.356182
H -4.982715 -2.139625 -1.540100
H 6.158484 -1.244959 0.624455
H 6.096200 -0.924504 -1.108233
H -7.025395 3.333999 0.032285
H -7.609277 2.531759 -1.451727
H -8.739241 2.845121 -0.102369
H 9.228583 0.362216 -0.129202


