%chk=000006548.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006548

0 1
 O    2.147600      -1.186700       1.294000    
 C    2.081000     -0.3930000      0.1004000    
 C   0.7198000     -0.6822000     -0.5690000    
 C  -0.4997000     -0.2448000      0.2556000    
 C   -1.805400     -0.5557000     -0.4856000    
 C   -3.066200     -0.1156000      0.2813000    
 C    2.283900       1.079700      0.5150000    
 C    3.211000     -0.8723000     -0.8206000    
 C   -3.078900       1.385400      0.5741000    
 C   -4.316700     -0.4961000     -0.5154000    
 C    2.323700       2.081300     -0.6298000    
 H   0.6343000      -1.762900     -0.7455000    
 H   0.6805000     -0.1973000      -1.552300    
 H  -0.4389000      0.8311000      0.4375000    
 H  -0.5080000     -0.7491000       1.227900    
 H   -1.859100      -1.635500     -0.6743000    
 H   -1.787400     -6.5600000E-02  -1.467800    
 H   -3.099400     -0.6514000       1.238400    
 H    1.520200       1.384300       1.240200    
 H    3.227800       1.158300       1.072200    
 H    3.146700      -1.955200     -0.9799000    
 H    3.184500     -0.3831000      -1.798900    
 H    4.189700     -0.6882000     -0.3632000    
 H   -2.296700       1.661900       1.287300    
 H   -2.934100       1.970400     -0.3405000    
 H   -4.034400       1.685800       1.018200    
 H   -4.346000      2.0600000E-02  -1.480900    
 H   -4.343100      -1.574200     -0.7064000    
 H   -5.225300     -0.2342000      3.7000000E-02
 H    3.160800       1.889100      -1.306700    
 H    2.449500       3.094100     -0.2327000    
 H    1.395500       2.065400      -1.208200    
 H    1.552300     -0.7975000       1.956200    


%chk=000006548-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006548

0 1
O 2.179528 -1.274779 1.301158
C 2.118864 -0.404166 0.088239
C 0.737787 -0.577947 -0.606871
C -0.493874 -0.129385 0.213318
C -1.821860 -0.449306 -0.512583
C -3.106455 -0.094495 0.283948
C 2.403949 1.056901 0.537531
C 3.240754 -0.961546 -0.804365
C -3.247072 1.429588 0.517123
C -4.358189 -0.647158 -0.438978
C 2.418834 2.112651 -0.590030
H 0.629383 -1.652849 -0.854964
H 0.747917 -0.029741 -1.570526
H -0.434621 0.956785 0.420060
H -0.501340 -0.645172 1.198065
H -1.838805 -1.533043 -0.752477
H -1.845193 0.085062 -1.486532
H -3.036849 -0.589976 1.276802
H 1.649060 1.351907 1.296203
H 3.380503 1.052712 1.059375
H 3.075977 -2.039079 -0.978530
H 3.268089 -0.449184 -1.782040
H 4.220643 -0.841080 -0.310190
H -2.403423 1.839908 1.101055
H -3.284314 1.967161 -0.450731
H -4.178423 1.660899 1.066970
H -4.463527 -0.190353 -1.442431
H -4.294560 -1.743482 -0.572332
H -5.280581 -0.425722 0.129805
H 3.178574 1.876143 -1.356678
H 2.658917 3.111423 -0.181819
H 1.438294 2.187420 -1.095237
H 1.511515 -0.943301 1.955263


