%chk=000010631.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000010631

0 1
 O    3.560500      0.2255000      -1.907200    
 O    5.504300      7.8900002E-02  0.9061000    
 O   -6.037600      0.7532000      -1.121300    
 C    1.376600     -0.8752000     -0.2978000    
 C    2.293800      0.2688000      0.1943000    
 C  -2.7400000E-02 -0.8303000      0.3193000    
 C  -0.7000000      0.5245000     -4.8999999E-02
 C   -2.171900      0.6489000      0.5051000    
 C    3.607600     -0.1262000     -0.5273000    
 C    1.646400       1.594100     -0.2378000    
 C   0.2115000       1.732500      0.3022000    
 C    2.227200      -2.125900     -9.1200002E-02
 C  -0.8922000      -1.997100     -0.1735000    
 C    3.667800      -1.663600     -0.3905000    
 C   -2.300300      -1.949100      0.4346000    
 C   -2.979900     -0.6119000      0.1264000    
 C    2.505400      0.2685000       1.733800    
 C   -2.812400       1.919700     -0.1295000    
 C   -2.199800      0.8003000       2.043700    
 C    4.837400      0.5571000     -1.0300000E-02
 C   -4.322800       1.975900      1.0800000E-02
 C   -4.213200     -0.5467000     -0.4093000    
 C   -3.063600      -3.214500      1.5200000E-02
 C   -4.935000      0.7367000     -0.5778000    
 C    5.217600       1.855700     -0.6687000    
 H    1.241600     -0.7737000      -1.387400    
 H   5.6699999E-02 -0.9200000       1.407600    
 H  -0.7823000      0.5294000      -1.148400    
 H    1.607400       1.670400      -1.331200    
 H    2.239500       2.445600      0.1142000    
 H   0.2478000       1.880200       1.385900    
 H  -0.2080000       2.653100     -0.1184000    
 H    1.927400      -2.939300     -0.7601000    
 H    2.150400      -2.498400      0.9364000    
 H  -0.4143000      -2.945000      0.1029000    
 H  -0.9553000      -1.983100      -1.270000    
 H    4.321800      -2.004100      0.4193000    
 H    4.022200      -2.136200      -1.313900    
 H   -2.198400      -2.010900       1.526700    
 H    3.006600     -0.6367000       2.090600    
 H    3.121600       1.122600       2.037700    
 H    1.569000      0.3486000       2.291800    
 H   -2.569500       1.955700      -1.200900    
 H   -2.391900       2.829800      0.3145000    
 H   -1.622900      2.0900000E-02   2.550300    
 H   -1.791600       1.765500       2.361600    
 H   -3.222600      0.7427000       2.434200    
 H   -4.703300       2.846500     -0.5349000    
 H   -4.635800       2.064900       1.055600    
 H    4.296200     -0.2181000      -2.363100    
 H   -4.776400      -1.427900     -0.6930000    
 H   -3.217900      -3.252400      -1.068900    
 H   -2.506600      -4.113500      0.3023000    
 H   -4.039400      -3.271700      0.5097000    
 H    5.675700       1.663600      -1.642100    
 H    4.352400       2.511100     -0.7784000    
 H    5.948100       2.373100     -3.9099999E-02


%chk=000010631-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000010631

0 1
O 3.405726 0.237889 -1.978271
O 5.606675 0.117772 0.873913
O -6.104321 0.761636 -1.222886
C 1.388542 -0.903173 -0.249106
C 2.313670 0.269017 0.218007
C -0.023541 -0.855865 0.371721
C -0.688398 0.504398 -0.006205
C -2.175455 0.648925 0.520200
C 3.637659 -0.127642 -0.558459
C 1.654257 1.605944 -0.197248
C 0.214863 1.711357 0.377231
C 2.260456 -2.167102 -0.056348
C -0.894329 -2.028415 -0.124380
C 3.712270 -1.678691 -0.379634
C -2.344357 -1.960683 0.431765
C -2.978623 -0.606907 0.111370
C 2.591871 0.250195 1.745574
C -2.797638 1.921984 -0.138160
C -2.228818 0.784487 2.076181
C 4.899738 0.607019 -0.049502
C -4.335082 1.990323 -0.053273
C -4.220496 -0.519598 -0.468224
C -3.161172 -3.191851 -0.010343
C -4.970596 0.739005 -0.650871
C 5.253336 1.936706 -0.700257
H 1.261474 -0.759196 -1.343841
H 0.058802 -0.935181 1.477034
H -0.765163 0.499098 -1.118655
H 1.623968 1.663251 -1.301052
H 2.245780 2.470515 0.165125
H 0.267905 1.805074 1.478701
H -0.234479 2.650053 0.004460
H 1.946220 -2.994153 -0.716517
H 2.194043 -2.535370 0.985081
H -0.443259 -2.992620 0.179786
H -0.929147 -2.022189 -1.234340
H 4.421199 -1.917608 0.430891
H 4.105461 -2.148696 -1.301983
H -2.252647 -2.003878 1.541243
H 3.154797 -0.642841 2.064394
H 3.188405 1.131120 2.044583
H 1.651681 0.279460 2.320310
H -2.504296 1.941149 -1.207687
H -2.366897 2.826448 0.329524
H -1.702337 -0.042816 2.583415
H -1.763230 1.731147 2.402726
H -3.273881 0.782020 2.434041
H -4.732799 2.878175 -0.575698
H -4.664889 2.068592 1.003069
H 4.022228 -0.293753 -2.542603
H -4.758374 -1.419723 -0.784465
H -3.290221 -3.217146 -1.108414
H -2.632973 -4.116106 0.286856
H -4.163321 -3.214756 0.453748
H 5.838695 1.756128 -1.622873
H 4.352620 2.491247 -1.007396
H 5.876600 2.528325 -0.010460


