%chk=000101793.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101793

0 1
 O   -4.595600     -0.2040000      0.8534000    
 O   -3.198500      -1.206600      -2.113500    
 O    5.370900      -1.491900      -1.401500    
 C   -2.154800      0.1258000      0.6738000    
 C   -1.323200      0.7764000     -0.4525000    
 C   8.6599998E-02   1.172700      1.9000000E-03
 C   0.8402000     -0.1171000      0.4903000    
 C   -3.516100     -3.8300000E-02 -4.9800001E-02
 C    2.318000      0.2037000      0.9201000    
 C   -1.437700      -1.161600       1.114100    
 C   1.5400000E-02 -0.8921000       1.550400    
 C   -2.248200       1.860700     -0.9990000    
 C   -3.663000       1.261700     -0.8728000    
 C   0.8622000       1.892500      -1.118000    
 C   -2.346800       1.035500       1.921200    
 C    2.966200      0.8842000     -0.2925000    
 C    2.317600       2.171200     -0.7374000    
 C    3.132900      -1.058500       1.323700    
 C    2.366700       1.136000       2.157400    
 C   -3.583500      -1.246800     -0.9458000    
 C    3.579400      -1.897300      0.1404000    
 C    3.950000      0.3451000      -1.031900    
 C    4.403600      -1.044500     -0.7899000    
 C   -4.142400      -2.506700     -0.3419000    
 H   -1.184900      4.6700001E-02  -1.264500    
 H   6.0000003E-04   1.881800      0.8312000    
 H   0.8988000     -0.7873000     -0.3820000    
 H   -1.396500      -1.885100      0.2914000    
 H   -1.978700      -1.645900       1.935500    
 H   1.6300000E-02 -0.3540000       2.503300    
 H   0.4784000      -1.865100       1.746100    
 H   -2.015100       2.107600      -2.039900    
 H   -2.172800       2.785100     -0.4154000    
 H   -4.324000       1.977400     -0.3691000    
 H   -4.097200       1.091500      -1.864400    
 H   0.3734000       2.843100      -1.361600    
 H   0.8381000       1.283500      -2.031600    
 H   -2.900000       1.951300       1.689600    
 H   -2.906800      0.5102000       2.703600    
 H   -1.401000       1.346000       2.372300    
 H    2.373400       2.924200      5.5799998E-02
 H    2.833300       2.603900      -1.603400    
 H    2.582400      -1.682500       2.034300    
 H    4.040300     -0.7426000       1.860400    
 H    1.756000       2.035700       2.049700    
 H    2.020600      0.6176000       3.058400    
 H    3.392500       1.472900       2.352800    
 H   -4.330500     -0.8268000       1.550900    
 H    2.732600      -2.316300     -0.4117000    
 H    4.201400      -2.725600      0.4967000    
 H    4.370700      0.8545000      -1.892100    
 H   -3.678000      -2.735500      0.6183000    
 H   -5.226200      -2.420300     -0.2303000    
 H   -3.934900      -3.343900      -1.015900    


%chk=000101793-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101793

0 1
O -4.713214 -0.063236 0.841221
O -2.945418 -1.418470 -2.012324
O 5.363719 -1.550872 -1.601541
C -2.147206 0.117993 0.694522
C -1.305284 0.802011 -0.428850
C 0.114355 1.199249 0.031243
C 0.862341 -0.094106 0.510253
C -3.543030 -0.066939 -0.059123
C 2.363000 0.213998 0.932292
C -1.403802 -1.168144 1.139383
C 0.045242 -0.844032 1.599703
C -2.252605 1.889831 -0.988880
C -3.657165 1.206747 -0.964782
C 0.889347 1.932061 -1.089990
C -2.391327 1.044225 1.918262
C 3.001561 0.914866 -0.277249
C 2.365876 2.226113 -0.685889
C 3.175013 -1.068021 1.294055
C 2.418842 1.143223 2.185157
C -3.547527 -1.367344 -0.904719
C 3.614795 -1.913086 0.081678
C 3.974865 0.334435 -1.052435
C 4.421151 -1.065853 -0.903403
C -4.301171 -2.570899 -0.359742
H -1.182386 0.046443 -1.234841
H 0.030059 1.899342 0.888504
H 0.918824 -0.765348 -0.376798
H -1.347106 -1.880227 0.291370
H -1.939635 -1.680996 1.965917
H 0.015834 -0.245989 2.530379
H 0.545716 -1.796634 1.854736
H -1.971733 2.200450 -2.009847
H -2.236235 2.794602 -0.351028
H -4.440772 1.856354 -0.540354
H -3.963618 0.918277 -1.983428
H 0.379576 2.882120 -1.338513
H 0.886335 1.310209 -2.008445
H -3.028657 1.906188 1.663344
H -2.896408 0.496087 2.734992
H -1.441052 1.426347 2.326562
H 2.373588 2.958269 0.144847
H 2.909542 2.678516 -1.534564
H 2.603150 -1.689502 2.006788
H 4.087644 -0.743279 1.833331
H 1.759909 2.023747 2.104430
H 2.120904 0.580148 3.088606
H 3.450385 1.506667 2.345630
H -4.564116 -0.700034 1.585845
H 2.734828 -2.316765 -0.460273
H 4.226056 -2.779307 0.390387
H 4.417107 0.887578 -1.891539
H -3.966788 -2.826222 0.664793
H -5.380775 -2.341988 -0.300788
H -4.140432 -3.436600 -1.020282


