%chk=000066417.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066417

0 1
 O   -4.757300      -1.431400      0.3083000    
 O   -5.166600       1.396000     -2.8999999E-02
 O    6.114500      4.2800002E-02  0.4371000    
 C   -2.384100     -0.7764000      0.1496000    
 C   -1.759400      0.5413000     -0.3714000    
 C  -0.2939000      0.6876000      4.1600000E-02
 C   0.5206000     -0.4889000     -0.5762000    
 C   -1.617000      -1.943800     -0.4864000    
 C   -3.833800     -0.6157000     -0.3620000    
 C  -0.1044000      -1.860500     -0.2071000    
 C   -2.754600       1.624300      4.5499999E-02
 C   0.3171000       2.011600     -0.4226000    
 C   -4.063600      0.8726000     -0.1148000    
 C   -2.371800     -0.9318000       1.691900    
 C    2.009700     -0.3528000     -0.2689000    
 C    1.726700       2.157800      0.1426000    
 C    2.568100      0.9104000      2.6000001E-02
 C    2.875500      -1.457300     -0.3581000    
 C    3.947600       1.026300      0.2727000    
 C    4.245400      -1.326500     -0.1195000    
 C    4.781200     -8.5800000E-02  0.2003000    
 H   -1.778500      0.5187000      -1.474500    
 H  -0.2166000      0.6552000       1.136000    
 H   0.4487000     -0.4029000      -1.671700    
 H   -1.767800      -1.941300      -1.573900    
 H   -2.005200      -2.903700     -0.1249000    
 H   -3.899800     -0.7971000      -1.441200    
 H   9.4099998E-02  -2.086500      0.8476000    
 H   0.3716000      -2.661300     -0.7847000    
 H   -2.724600       2.486800     -0.6244000    
 H   -2.628900       1.933700       1.086100    
 H  -0.2854000       2.865300     -9.2799999E-02
 H   0.3484000       2.047700      -1.519300    
 H   -2.819500      -1.888000       1.986900    
 H   -1.362700     -0.9148000       2.111600    
 H   -2.940200     -0.1418000       2.193700    
 H    1.659200       2.419000       1.206600    
 H    2.224000       2.990700     -0.3692000    
 H   -5.634500      -1.256400     -7.2700001E-02
 H    2.504400      -2.442800     -0.6228000    
 H    4.365900       1.999800      0.5211000    
 H    4.887400      -2.200500     -0.1900000    
 H    6.310400      0.9729000      0.6429000    


%chk=000066417-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000066417

0 1
O -4.842954 -1.540413 0.119990
O -5.277418 1.246034 0.256517
O 6.215848 -0.014651 0.410043
C -2.388726 -0.818514 0.108657
C -1.769085 0.530171 -0.418674
C -0.304552 0.697038 0.016677
C 0.523375 -0.484441 -0.581330
C -1.588974 -1.987154 -0.507814
C -3.844695 -0.640650 -0.414511
C -0.073677 -1.868784 -0.188871
C -2.814235 1.613541 -0.046444
C 0.325518 2.034820 -0.426149
C -4.133587 0.835041 -0.061387
C -2.427140 -0.930801 1.654622
C 2.021944 -0.337009 -0.267187
C 1.728672 2.188656 0.193452
C 2.586037 0.931420 0.058440
C 2.899157 -1.452177 -0.352650
C 3.979944 1.045866 0.285887
C 4.283486 -1.342818 -0.126150
C 4.825612 -0.079918 0.196134
H -1.764902 0.454321 -1.530699
H -0.250794 0.649252 1.125660
H 0.410175 -0.397974 -1.688513
H -1.731469 -1.982157 -1.609308
H -1.974405 -2.956959 -0.139731
H -3.827979 -0.726306 -1.528281
H 0.111115 -2.054047 0.887115
H 0.452875 -2.673558 -0.734934
H -2.851252 2.473930 -0.737777
H -2.662147 2.027860 0.969644
H -0.309709 2.887746 -0.118835
H 0.391606 2.058593 -1.533387
H -3.025336 -1.815624 1.932246
H -1.419866 -1.043401 2.088463
H -2.901375 -0.053941 2.133928
H 1.617977 2.428964 1.271936
H 2.257546 3.049406 -0.259572
H -5.636846 -0.991224 0.370690
H 2.498003 -2.438691 -0.605595
H 4.401439 2.031392 0.532348
H 4.947580 -2.209061 -0.196103
H 6.493517 0.908722 0.631451


