%chk=000128417.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128417

0 1
 O   0.8253000      -3.023000      0.1074000    
 O   -4.731700      0.3755000      -1.818500    
 O   -5.769700     -0.5003000      4.5499999E-02
 O    5.645800       3.059600     -0.2423000    
 C   -2.154800     -0.1888000      0.6798000    
 C  -0.6456000      0.1451000      0.6430000    
 C   -2.718200       1.136700      0.1112000    
 C  -0.5699000       1.540200       1.257500    
 C   -1.873800       2.225200      0.8114000    
 C   0.2304000     -0.9587000       1.233800    
 C   -2.379200      -1.414100     -0.2207000    
 C   -4.215900       1.361100      0.2632000    
 C   -2.704900     -0.4715000       2.098700    
 C   -1.528500      -2.608700      0.2219000    
 C  -6.6500001E-02  -2.246400      0.4533000    
 C    1.713500     -0.5998000       1.161200    
 C   -4.617600       2.742600     -0.2448000    
 C   -5.004100      0.2959000     -0.4820000    
 C    2.146900     -0.3367000     -0.2787000    
 C    3.604800      3.7900001E-02 -0.3558000    
 C    4.575200     -0.9415000     -0.5147000    
 C    3.951100       1.379100     -0.2638000    
 C   -5.418600     -0.5693000      -2.645300    
 C    5.918700     -0.5727000     -0.5831000    
 C    5.294500       1.747800     -0.3321000    
 C    4.214500      -2.387100     -0.6142000    
 C    6.278300      0.7719000     -0.4917000    
 H  -0.3933000      0.2518000     -0.4224000    
 H   -2.465100       1.182500     -0.9594000    
 H   0.3076000       2.094700      0.9099000    
 H  -0.5199000       1.493500       2.351200    
 H   -2.380800       2.644000       1.688300    
 H   -1.663300       3.053100      0.1251000    
 H  -1.8800000E-02  -1.146300       2.283600    
 H   -2.123400      -1.167500      -1.259400    
 H   -3.425600      -1.730900     -0.2204000    
 H   -4.516600       1.306100       1.316000    
 H   -2.179800      -1.290700       2.597200    
 H   -2.628900      0.3993000       2.757400    
 H   -3.760300     -0.7620000       2.061000    
 H   -1.575000      -3.384900     -0.5504000    
 H   -1.915200      -3.046400       1.148000    
 H    2.308400      -1.411800       1.596600    
 H    1.911700      0.2824000       1.783100    
 H   -4.237700       3.536500      0.4059000    
 H   -5.708700       2.841500     -0.2761000    
 H   -4.244900       2.929400      -1.258100    
 H    1.594300      0.5079000     -0.7052000    
 H    1.934000      -1.167400     -0.9560000    
 H    3.190100       2.144500     -0.1358000    
 H   -6.500200     -0.4228000      -2.569400    
 H   -5.145100      -1.590100      -2.361700    
 H   -5.113000     -0.3994000      -3.681100    
 H    6.698100      -1.319900     -0.7074000    
 H    3.611000      -2.577300      -1.507500    
 H    5.107400      -3.017500     -0.6958000    
 H    3.675600      -2.723200      0.2758000    
 H    7.328500       1.046300     -0.5462000    
 H    6.613500       3.131900     -0.3084000    


%chk=000128417-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128417

0 1
O 0.884951 -2.985891 0.011693
O -5.087785 0.182414 -1.728387
O -5.875181 -0.549358 0.332757
O 6.123778 2.936953 0.387168
C -2.206865 -0.155996 0.610665
C -0.687862 0.213821 0.517436
C -2.824262 1.166750 0.026527
C -0.607494 1.640068 1.111119
C -1.957836 2.303485 0.678300
C 0.266133 -0.865545 1.091132
C -2.432775 -1.430904 -0.242472
C -4.350947 1.407616 0.223012
C -2.688880 -0.387302 2.069525
C -1.506706 -2.594760 0.214722
C -0.034459 -2.210643 0.395493
C 1.769335 -0.495341 1.044001
C -4.799246 2.748460 -0.416767
C -5.181979 0.255671 -0.334242
C 2.299746 -0.087285 -0.362043
C 3.808563 0.121405 -0.341853
C 4.712376 -0.960380 -0.589362
C 4.318197 1.401570 -0.022454
C -5.853708 -0.912910 -2.369130
C 6.102652 -0.706470 -0.496457
C 5.708150 1.627612 0.062698
C 4.216408 -2.345825 -0.973835
C 6.614610 0.570193 -0.173189
H -0.468971 0.300777 -0.570231
H -2.636549 1.158407 -1.067626
H 0.269627 2.200570 0.742225
H -0.521785 1.597240 2.213585
H -2.480456 2.735511 1.553419
H -1.793315 3.131458 -0.033415
H -0.004406 -1.013880 2.161742
H -2.228633 -1.196639 -1.306686
H -3.481154 -1.777163 -0.178133
H -4.574078 1.435550 1.305745
H -2.131053 -1.197398 2.571545
H -2.573255 0.519620 2.689467
H -3.756592 -0.671668 2.080410
H -1.551178 -3.443384 -0.490458
H -1.863513 -2.978029 1.193916
H 2.355260 -1.362572 1.400988
H 1.961600 0.334421 1.751265
H -4.275324 3.594777 0.059639
H -5.885101 2.906896 -0.287418
H -4.577293 2.758592 -1.497636
H 1.803409 0.847753 -0.684321
H 2.027529 -0.874704 -1.086510
H 3.639615 2.241545 0.163412
H -6.921588 -0.839945 -2.103547
H -5.467061 -1.892329 -2.038819
H -5.700261 -0.770477 -3.447938
H 6.805627 -1.527009 -0.684608
H 3.825065 -2.358299 -2.010696
H 5.036947 -3.082709 -0.923613
H 3.392808 -2.699780 -0.328908
H 7.698597 0.733936 -0.109802
H 7.111170 2.988824 0.415550


