%chk=000105685.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105685

0 1
 O   -3.942200      6.7000002E-02  0.2961000    
 O   -1.806400       1.830000      0.3319000    
 O   -3.472300      -2.651400      5.1899999E-02
 O    4.784700     -0.4334000     -0.1336000    
 O    1.524700      -3.080400     -0.2491000    
 O    4.147900      -2.641500     -0.3124000    
 C  -5.3800002E-02  -1.359700     -9.9999998E-03
 C   -2.665700     -0.4011000      0.1943000    
 C   -1.592400      0.4896000      0.2139000    
 C   -2.433000      -1.771000      7.2499998E-02
 C  -0.2864000      1.0200000E-02  0.1118000    
 C   -1.127000      -2.250200     -2.9700000E-02
 C    1.343000      -1.872200     -0.1222000    
 C   -4.611600      0.3908000     -0.9204000    
 C    2.486300     -0.8739000     -9.7199999E-02
 C   -5.981100      0.9142000     -0.6016000    
 C    3.877600      -1.453800     -0.2046000    
 C    6.160000     -0.8250000     -0.1936000    
 C   -6.175700       2.280300     -0.3980000    
 C   -7.059900      3.4800000E-02 -0.5093000    
 C    7.022400      0.3996000     -0.1041000    
 C   -7.448900       2.767100     -0.1019000    
 C   -8.333200      0.5215000     -0.2134000    
 C    7.400600       1.072600      -1.265800    
 C    7.446000      0.8648000       1.140700    
 C   -8.527700       1.887600     -9.7000003E-03
 C   -1.847100       2.365800       1.652900    
 C   -3.905700      -3.172300       1.306900    
 C    8.202700       2.210900      -1.182600    
 C    8.248000       2.003100       1.224000    
 C    8.626300       2.676100      6.2199999E-02
 H   0.5223000      0.7344000      0.1292000    
 H  -0.9642000      -3.321000     -0.1251000    
 H   -4.686500     -0.4998000      -1.557400    
 H   -4.040400       1.144200      -1.477800    
 H    2.361800     -0.1909000     -0.9449000    
 H    2.442700     -0.3321000      0.8544000    
 H    6.387000      -1.508800      0.6339000    
 H    6.353400      -1.356100      -1.134000    
 H   -5.342400       2.974800     -0.4646000    
 H   -6.920200      -1.031900     -0.6634000    
 H   -7.600300       3.830700      5.7500001E-02
 H   -9.173100     -0.1633000     -0.1408000    
 H    7.075300      0.7211000      -2.241300    
 H    7.156200      0.3502000       2.053100    
 H   -9.519000       2.266600      0.2211000    
 H   -2.030800       3.441200       1.580700    
 H  -0.8906000       2.207000       2.160800    
 H   -2.658900       1.910200       2.228700    
 H   -3.097900      -3.731200       1.789700    
 H   -4.248100      -2.364700       1.961500    
 H   -4.742000      -3.852700       1.124700    
 H    8.496800       2.735300      -2.087100    
 H    8.577400       2.365700       2.193300    
 H    9.250400       3.562500      0.1270000    


%chk=000105685-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000105685

0 1
O -3.640660 0.477287 0.323412
O -2.354171 2.349338 -1.461524
O -2.032782 -1.603952 1.514291
O 4.868419 1.062371 -1.393797
O 2.627194 -0.973417 -0.413599
O 4.327170 -0.234626 -3.267690
C 0.492502 0.130186 -0.604959
C -2.260820 0.379547 0.058000
C -1.645273 1.327525 -0.811107
C -1.460542 -0.647720 0.645824
C -0.280038 1.191443 -1.142026
C -0.105168 -0.780511 0.306387
C 1.937100 -0.059002 -0.947214
C -4.455131 -0.683811 -0.218007
C 2.561942 0.903973 -1.980669
C -5.899354 -0.417919 0.119620
C 3.986704 0.502938 -2.317805
C 6.301849 0.635788 -1.473027
C -6.646278 0.528409 -0.628186
C -6.527860 -1.100110 1.190874
C 6.756911 0.139745 -0.117310
C -7.995651 0.790991 -0.308283
C -7.880268 -0.842973 1.511316
C 8.003255 0.562358 0.405910
C 5.967376 -0.780737 0.619189
C -8.616003 0.104575 0.762873
C -3.195421 3.240877 -0.627997
C -2.585356 -1.055470 2.777285
C 8.468653 0.061722 1.643379
C 6.430343 -1.272710 1.859005
C 7.682480 -0.858524 2.373125
H 0.141112 1.926116 -1.833769
H 0.493420 -1.584967 0.742803
H -4.078430 -1.614720 0.241956
H -4.280890 -0.710765 -1.309925
H 1.960523 0.889618 -2.906155
H 2.546802 1.928717 -1.567207
H 6.369927 -0.145901 -2.253014
H 6.875419 1.521775 -1.794986
H -6.165425 1.057225 -1.460388
H -5.958138 -1.836887 1.770525
H -8.565140 1.521758 -0.893098
H -8.358774 -1.379656 2.337945
H 8.612783 1.283939 -0.152870
H 4.989014 -1.089629 0.232694
H -9.665007 0.303986 1.008842
H -3.632266 3.958681 -1.338569
H -2.564660 3.776996 0.106582
H -3.982343 2.670565 -0.109264
H -1.777337 -0.586579 3.369221
H -3.383426 -0.319044 2.574616
H -2.987049 -1.925615 3.318119
H 9.435553 0.393562 2.038354
H 5.813553 -1.980263 2.424531
H 8.038656 -1.245001 3.334868


