%chk=000085683.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085683

0 1
 O    3.631700       1.004300     -0.4627000    
 O    2.874100      -1.047100      0.3915000    
 O    5.607100     -0.3138000       1.440900    
 O    5.427000     -0.8360000      -2.129900    
 O    4.366700       3.549900      0.4579000    
 O   -1.002600      -3.766500      0.2754000    
 O  -0.9409000       2.232700      4.5600001E-02
 O   -3.266100      -2.578700      0.1011000    
 O   -5.604300      -1.546300     -7.6899998E-02
 C    5.734200      4.2599998E-02  7.0400000E-02
 C    4.963000     -0.9385000     -0.7886000    
 C    5.006900       1.351000     -0.2202000    
 C    3.536100     -0.4109000     -0.6956000    
 C    5.075300       2.395700      0.8788000    
 C    1.518200      -1.147100      0.3181000    
 C  -0.6561000     -9.6400000E-02  0.1532000    
 C   -1.263700      -1.353600      0.1674000    
 C   0.7382000      6.2000002E-03  0.2286000    
 C   0.9119000      -2.401500      0.3323000    
 C   -2.943800       1.007400     -2.2800000E-02
 C   -3.551500     -0.2498000     -8.2999999E-03
 C  -0.4771000      -2.508300      0.2572000    
 C   -1.473900       1.130100      5.7799999E-02
 C   -2.733700      -1.476300      8.7700002E-02
 C   -3.730200       2.162000     -0.1144000    
 C   -4.945600     -0.3525000     -8.5900001E-02
 C   -5.119100       2.055200     -0.1913000    
 C   -5.725500      0.8007000     -0.1772000    
 C   -5.956300       3.285900     -0.2902000    
 H    6.798200      0.1029000     -0.1801000    
 H    5.048500      -1.977700     -0.4552000    
 H    5.370200       1.782100      -1.161800    
 H    2.993800     -0.5736000      -1.636100    
 H    6.111400       2.674500       1.093200    
 H    4.593600       2.041300       1.795600    
 H    6.195500      0.2677000       1.951700    
 H    6.352300      -1.135100      -2.141600    
 H    1.211300      0.9836000      0.2363000    
 H    1.533400      -3.291300      0.4019000    
 H    4.428500       4.202000       1.176600    
 H   -3.269900       3.147100     -0.1248000    
 H   -6.808300      0.7156000     -0.2353000    
 H   -6.191000       3.661600      0.7106000    
 H   -5.436500       4.071900     -0.8485000    
 H   -6.895000       3.086200     -0.8181000    
 H  -0.2854000      -4.419800      0.3417000    
 H   -4.979700      -2.283900     -1.1100000E-02


%chk=000085683-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085683

0 1
O 3.566319 1.249821 -0.150650
O 2.939250 -1.095741 -0.140636
O 7.133727 0.291211 -0.061400
O 5.270225 -0.695292 -2.508098
O 3.928480 1.404277 2.730282
O -0.955685 -3.431267 1.406454
O -0.926593 2.125849 -1.142627
O -3.347974 -2.272214 1.165800
O -5.603637 -1.195660 0.955613
C 5.859680 0.798317 -0.571424
C 5.052882 -0.411826 -1.096662
C 4.919410 1.437432 0.481636
C 3.582410 -0.006728 -0.899010
C 4.941721 0.787951 1.874187
C 1.545099 -1.059566 0.014471
C -0.669775 -0.070039 -0.169055
C -1.281307 -1.220437 0.430214
C 0.722460 0.021846 -0.370200
C 0.981517 -2.207254 0.607443
C -2.960404 1.057652 -0.401918
C -3.546717 -0.098251 0.198505
C -0.412501 -2.294190 0.819612
C -1.488027 1.115624 -0.609861
C -2.744898 -1.255478 0.626761
C -3.758456 2.145051 -0.801616
C -4.971525 -0.121323 0.385274
C -5.171079 2.121554 -0.616840
C -5.760792 0.987312 -0.025429
C -6.016129 3.303677 -1.050239
H 6.010526 1.510483 -1.407849
H 5.286626 -1.289621 -0.462058
H 5.029275 2.530684 0.578228
H 3.044883 0.154806 -1.848238
H 5.907801 0.975185 2.371013
H 4.792499 -0.308278 1.794259
H 7.765097 1.039559 0.081211
H 6.173724 -1.084229 -2.618809
H 1.116634 0.947499 -0.797895
H 1.647381 -3.029442 0.894523
H 3.062723 1.367063 2.245196
H -3.264589 3.009188 -1.258216
H -6.842060 0.929115 0.133867
H -5.736806 4.215184 -0.489099
H -5.864568 3.526991 -2.122552
H -7.090872 3.119658 -0.887107
H -0.241226 -4.083321 1.627627
H -4.853830 -1.887333 1.180212


