%chk=000031005.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031005

0 1
 O   -1.064000       1.599000      -1.438000    
 O   0.2301000     -0.9720000       2.396800    
 C   -2.122400      -1.140300     -0.7760000    
 C   -1.826200     -0.3351000      0.5201000    
 C   -3.615800      -1.480500     -0.8686000    
 C   -4.473900     -0.2141000     -0.8674000    
 C   -2.891600      0.6962000      0.8311000    
 C  -0.4413000      0.3018000      0.4798000    
 C   -4.074300      0.7731000      0.1970000    
 C   -1.303100      -2.397400     -0.8398000    
 C  -0.1393000       1.238600     -0.5044000    
 C   0.5128000     -5.6899998E-02   1.427700    
 C   -5.074800       1.845400      0.5130000    
 C  -0.3683000      -2.519300      -2.006500    
 C    2.086700       1.465400      0.4068000    
 C    1.127300       1.821600     -0.5411000    
 C    1.779400      0.5262000       1.391200    
 C   -1.401400      -3.355900      9.3300000E-02
 C    3.441400       2.087700      0.3666000    
 C    4.466600       1.324700     -0.4922000    
 C    4.652300     -0.1284000     -4.4300001E-02
 C    5.657000     -0.8584000     -0.9365000    
 C  -0.6636000       2.566000      -2.406800    
 C  -0.3107000     -0.4751000       3.619200    
 C    5.817000      -2.312200     -0.5211000    
 H   -1.898900     -0.5485000      -1.670300    
 H   -1.886600      -1.024500       1.370100    
 H   -3.826100      -2.054500      -1.780200    
 H   -3.926100      -2.110700     -2.4400000E-02
 H   -4.404700      0.2785000      -1.845100    
 H   -5.521200     -0.5087000     -0.7287000    
 H   -2.665200       1.415300       1.615900    
 H   -4.712000       2.536200       1.281400    
 H   -6.006600       1.400900      0.8771000    
 H   -5.296200       2.432200     -0.3844000    
 H  -0.9276000      -2.484400      -2.947200    
 H   0.3586000      -1.700700      -2.002200    
 H   0.1922000      -3.459900      -1.988200    
 H    1.426200       2.554300      -1.283100    
 H    2.520700      0.2461000       2.135800    
 H    3.830100       2.182200       1.389400    
 H    3.365100       3.117800     -5.1000002E-03
 H   -2.077000      -3.277800      0.9378000    
 H  -0.8007000      -4.257800      3.2600001E-02
 H    5.427400       1.851300     -0.4466000    
 H    4.141500       1.341400      -1.540200    
 H    4.990900     -0.1558000      0.9982000    
 H    3.703600     -0.6722000     -0.1003000    
 H    5.326700     -0.8188000      -1.981000    
 H    6.631400     -0.3588000     -0.8849000    
 H  -0.4294000       3.530300      -1.943000    
 H   -1.521500       2.732500      -3.066800    
 H   0.1520000       2.193900      -3.036100    
 H   -1.185000      0.1584000       3.442500    
 H   0.4523000      8.9299999E-02   4.164400    
 H  -0.6160000      -1.329000       4.230000    
 H    4.866000      -2.849100     -0.5963000    
 H    6.542200      -2.814000      -1.169400    
 H    6.174100      -2.388200      0.5109000    


%chk=000031005-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031005

0 1
O -0.912575 1.499205 -1.575064
O -0.346566 -0.615091 2.684276
C -2.231600 -1.122137 -0.769194
C -2.008948 -0.190942 0.463993
C -3.735297 -1.533951 -0.807985
C -4.649653 -0.308958 -1.025488
C -3.083434 0.896022 0.528815
C -0.604165 0.414162 0.538080
C -4.274107 0.862199 -0.127214
C -1.342215 -2.366387 -0.828248
C -0.063286 1.253884 -0.477079
C 0.224732 0.184947 1.670409
C -5.289670 1.983461 -0.018556
C -1.090378 -2.896883 -2.231943
C 2.046879 1.535082 0.742237
C 1.237417 1.805434 -0.385243
C 1.530852 0.725566 1.777091
C -0.824469 -2.993675 0.261625
C 3.463435 2.092909 0.819964
C 4.447312 1.432728 -0.189351
C 4.677104 -0.074422 0.058590
C 5.653412 -0.711898 -0.956339
C -0.446241 2.421112 -2.609292
C 0.456305 -0.891477 3.873944
C 5.868741 -2.221914 -0.715570
H -2.033154 -0.519025 -1.676987
H -2.119547 -0.808848 1.376633
H -3.906791 -2.280777 -1.607157
H -3.988943 -2.026442 0.151702
H -4.604493 0.016946 -2.087673
H -5.707904 -0.591256 -0.843126
H -2.851976 1.753848 1.176800
H -4.922983 2.807780 0.618218
H -6.247668 1.620981 0.406414
H -5.527612 2.403936 -1.017135
H -2.038715 -3.052179 -2.783697
H -0.498664 -2.166910 -2.819683
H -0.541469 -3.854604 -2.218544
H 1.631891 2.445147 -1.180853
H 2.155006 0.523211 2.652486
H 3.859587 1.956686 1.845203
H 3.443380 3.184719 0.628641
H -0.959172 -2.611258 1.278604
H -0.221984 -3.904477 0.154371
H 5.419009 1.966066 -0.138122
H 4.062582 1.576934 -1.219782
H 5.070628 -0.222090 1.086932
H 3.705681 -0.605824 0.016844
H 5.263087 -0.552849 -1.982607
H 6.628878 -0.185021 -0.909798
H -0.231186 3.423526 -2.190482
H -1.278033 2.490685 -3.326354
H 0.456541 2.034938 -3.122763
H 0.719411 0.041649 4.409306
H 1.381197 -1.444882 3.619111
H -0.184757 -1.516153 4.514079
H 4.912248 -2.772946 -0.788932
H 6.567462 -2.656021 -1.454509
H 6.284974 -2.407169 0.292907


