%chk=000099646.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099646

0 1
 O   0.7872000      -2.327300      0.7446000    
 O   0.7612000       2.460100      0.6937000    
 O    3.278800       2.456900     -0.4167000    
 O    3.305400      -2.320200     -0.3660000    
 O    4.553100      6.9600001E-02 -0.9483000    
 O  -0.7065000      5.2299999E-02   2.538200    
 C   0.7757000      6.6699997E-02  0.7196000    
 C    1.398200      -1.140900      0.4604000    
 C    1.385200       1.274800      0.4348000    
 C    2.661200       1.275700     -0.1288000    
 C    2.674100      -1.140200     -0.1032000    
 C    3.305800      6.8099998E-02 -0.3977000    
 C  -0.5807000      6.5800004E-02   1.318700    
 C   -1.746100      4.9800001E-02  0.3913000    
 C   -3.006600      1.7300000E-02  0.8793000    
 C   -4.216900     -1.7999999E-02  7.3299997E-02
 C   0.5609000      -3.215300     -0.3469000    
 C   0.9778000       3.037100       1.978800    
 C    3.058400       3.002200      -1.715300    
 C    4.117800      -2.864000      0.6714000    
 C    4.704400     -0.5780000      -2.209400    
 C   -4.179500      0.3920000      -1.259500    
 C   -5.415000     -0.4619000      0.6330000    
 C   -5.340200      0.3584000      -2.032400    
 C   -6.575700     -0.4956000     -0.1400000    
 C   -6.538100     -8.5299999E-02  -1.472800    
 H   -1.520200      4.1200001E-02 -0.6688000    
 H   -3.162800      1.0000000E-03   1.955700    
 H    1.347800      -3.973800     -0.3829000    
 H   0.4941000      -2.688700      -1.305500    
 H  -0.3913000      -3.725400     -0.1731000    
 H   0.3264000       3.910000       2.075600    
 H   0.7365000       2.331800       2.779300    
 H    2.017200       3.366300       2.075300    
 H    1.995300       3.211800      -1.870000    
 H    3.613600       3.941200      -1.790800    
 H    3.421900       2.318700      -2.488800    
 H    3.516900      -3.075300       1.561500    
 H    4.932500      -2.177900      0.9232000    
 H    4.549800      -3.801700      0.3113000    
 H    5.443900     -1.7300000E-02  -2.788700    
 H    5.086500      -1.592600      -2.066300    
 H    3.769500     -0.5995000      -2.780500    
 H   -3.275000      0.7636000      -1.732000    
 H   -5.463700     -0.7868000       1.669600    
 H   -5.312700      0.6820000      -3.068800    
 H   -7.508700     -0.8412000      0.2955000    
 H   -7.442100     -0.1104000      -2.074300    


%chk=000099646-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099646

0 1
O 0.301394 -1.927616 0.067775
O 0.940391 2.835766 0.766244
O 3.595430 2.666067 0.073253
O 3.022656 -2.168099 -0.798690
O 4.708022 0.130416 -0.742976
O -0.887021 1.092193 2.214618
C 0.634288 0.448097 0.459971
C 1.132507 -0.786254 -0.032508
C 1.489039 1.585047 0.458204
C 2.834666 1.493487 -0.005998
C 2.483989 -0.902787 -0.444523
C 3.337172 0.234307 -0.443853
C -0.744407 0.557885 1.068411
C -1.896726 0.048499 0.285406
C -3.171269 0.111452 0.784376
C -4.410969 -0.331548 0.135808
C 0.089671 -2.687127 -1.186390
C 1.376397 3.439634 2.046109
C 4.493892 3.005448 -1.046876
C 3.348060 -3.000305 0.389169
C 5.060701 -0.425735 -2.071597
C -4.448660 -0.922132 -1.162533
C -5.642381 -0.167881 0.835326
C -5.669176 -1.330864 -1.732661
C -6.865340 -0.576760 0.264802
C -6.884293 -1.161066 -1.022840
H -1.681462 -0.361493 -0.706627
H -3.269577 0.543926 1.791432
H 1.046650 -3.072460 -1.576857
H -0.392715 -2.044467 -1.948974
H -0.584379 -3.512053 -0.910305
H 0.909862 4.436164 2.067092
H 0.996649 2.823223 2.880448
H 2.476399 3.531158 2.075169
H 3.977604 2.872797 -2.017183
H 4.736975 4.069059 -0.898812
H 5.406020 2.388404 -1.015695
H 2.435962 -3.184960 0.985030
H 4.113548 -2.495626 1.006232
H 3.744424 -3.946761 -0.009889
H 6.160580 -0.466102 -2.081764
H 4.631328 -1.432678 -2.196565
H 4.699356 0.248683 -2.872385
H -3.518624 -1.059970 -1.725171
H -5.628904 0.284409 1.834506
H -5.680531 -1.782174 -2.731184
H -7.799865 -0.441455 0.820167
H -7.832030 -1.480647 -1.470089


