%chk=000074812.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074812

0 1
 O   -1.599500       2.004200      3.4000000E-03
 O    1.697400      -2.416700      5.1000002E-03
 C   -2.814500     -0.5814000      4.3000001E-03
 C    2.912400      0.1685000      4.3000001E-03
 C   -1.291200     -0.3723000      5.4000001E-03
 C    1.433100     -3.4400001E-02  4.6999999E-03
 C  -0.7921000      0.9064000      4.3000001E-03
 C   0.8900000      -1.319200      5.7999999E-03
 C   0.5920000       1.078400      4.1000000E-03
 C  -0.4941000      -1.491300      6.2000002E-03
 C   -3.131400      -2.092600      4.1999999E-03
 C   -3.426900      6.5800004E-02  -1.256700    
 C   -3.531100      3.4899998E-02   1.227200    
 C    3.273600       1.685700      3.1999999E-03
 C    3.569700     -0.4738000      -1.255800    
 C    3.672300     -0.4408000       1.228100    
 C  -0.9597000       3.278700      2.3000001E-03
 H    1.005000       2.072800      5.2000000E-03
 H  -0.8378000      -2.516800      8.1000002E-03
 H   -2.772200      -2.601900      0.9067000    
 H   -2.757600      -2.603900     -0.8913000    
 H   -4.218900      -2.246200     -8.2000000E-03
 H   -2.910600     -0.2720000      -2.163400    
 H   -4.481800     -0.2165000      -1.361100    
 H   -3.402600       1.158700      -1.250100    
 H   -3.463900       1.125900       1.260100    
 H   -3.099000     -0.3448000       2.160600    
 H   -4.598400     -0.2165000       1.228400    
 H    2.921200       2.200400      0.9053000    
 H    2.905300       2.201800     -0.8918000    
 H    4.363600       1.817100     -1.0700000E-02
 H    3.079200     -0.1042000      -2.165300    
 H    4.624800     -0.1791000      -1.324500    
 H    3.563200      -1.562200      -1.314900    
 H    3.663600      -1.525600       1.327100    
 H    3.248900     -4.2399999E-02   2.158800    
 H    4.730600     -0.1514000       1.206800    
 H    2.633100      -2.232600      8.7499999E-02
 H  -0.3750000       3.439300     -0.9100000    
 H  -0.3759000       3.441300      0.9149000    
 H   -1.753500       4.033300      1.1000000E-03


%chk=000074812-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000074812

0 1
O -1.660483 2.015723 -0.003275
O 1.656927 -2.534062 -0.006847
C -2.900210 -0.620044 -0.005470
C 3.068977 0.199904 -0.001999
C -1.369139 -0.393742 -0.003831
C 1.533113 -0.019862 -0.001086
C -0.774731 0.908731 -0.002435
C 0.938335 -1.311501 -0.001365
C 0.627191 1.073487 -0.000431
C -0.464859 -1.475011 -0.002779
C -3.263103 -2.129269 -0.005862
C -3.527364 0.018429 -1.283079
C -3.530458 0.018376 1.270646
C 3.444991 1.706514 -0.006389
C 3.705062 -0.421633 -1.287223
C 3.706771 -0.412358 1.286945
C -1.085200 3.357856 -0.004579
H 1.036416 2.084728 0.000700
H -0.830087 -2.504110 -0.002550
H -2.877444 -2.648144 0.891291
H -2.877624 -2.647816 -0.903249
H -4.363596 -2.234387 -0.005889
H -3.115192 -0.451656 -2.195376
H -4.622963 -0.138235 -1.280365
H -3.327246 1.100646 -1.324584
H -3.331300 1.100760 1.312159
H -3.119744 -0.451022 2.183954
H -4.625906 -0.139308 1.265775
H 3.063914 2.227722 0.890809
H 3.059313 2.222836 -0.904356
H 4.545805 1.808722 -0.009732
H 3.305978 0.079364 -2.187447
H 4.802796 -0.286561 -1.272681
H 3.502646 -1.501473 -1.410782
H 3.518940 -1.495093 1.414091
H 3.299235 0.085261 2.185229
H 4.803080 -0.266455 1.275473
H 2.628868 -2.371415 0.030821
H -0.470053 3.537786 -0.908669
H -0.471751 3.540371 0.900153
H -1.948604 4.040543 -0.006314


