%chk=000066419.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066419

0 1
 O   -5.203600       1.079600     -0.3170000    
 O    2.211000      -2.986900     -9.8999999E-03
 O    5.684100      0.5819000     -0.5938000    
 C   -2.775900      0.6298000     -0.1225000    
 C   -2.059600     -0.6554000      0.3314000    
 C  -0.5699000     -0.6533000     -1.6200000E-02
 C   0.1181000      0.5538000      0.6806000    
 C   -4.215000      0.2782000      0.3005000    
 C   -2.153600       1.807000      0.6361000    
 C   -2.947700      -1.770600     -0.2146000    
 C  -0.6337000       1.885800      0.4102000    
 C   -4.373200      -1.199700     -0.1058000    
 C   -2.713000      0.9024000      -1.646500    
 C   0.1070000      -1.950000      0.4245000    
 C    1.599000      0.5722000      0.3206000    
 C    1.586600      -1.938000      0.1278000    
 C    2.287500     -0.6294000      6.2600002E-02
 C    2.338300       1.767400      0.2913000    
 C    3.655300     -0.6236000     -0.2485000    
 C    3.700700       1.771200     -1.8400000E-02
 C    4.357400      0.5775000     -0.2923000    
 H   -2.128400     -0.7227000       1.430400    
 H  -0.4417000     -0.5650000      -1.103300    
 H   7.6200001E-02  0.3893000       1.768100    
 H   -4.332000      0.3746000       1.387400    
 H   -2.338900       1.700700       1.713000    
 H   -2.621000       2.752400      0.3356000    
 H   -2.844800      -2.696000      0.3611000    
 H   -2.707200      -2.000800      -1.258600    
 H  -0.4334000       2.225300     -0.6135000    
 H  -0.2467000       2.670400       1.072100    
 H   -4.910700      -1.313500      -1.054000    
 H   -4.951300      -1.737700      0.6538000    
 H   -1.689300       1.005100      -2.016000    
 H   -3.183800      0.1073000      -2.233300    
 H   -3.234400       1.834900      -1.892200    
 H  -0.3306000      -2.796000     -0.1179000    
 H  -2.2900000E-02  -2.125900       1.498500    
 H   -6.071300      0.7313000     -5.0099999E-02
 H    1.872700       2.723600      0.5106000    
 H    4.186700      -1.549500     -0.4551000    
 H    4.236500       2.716700     -3.7900001E-02
 H    6.008300       1.498800     -0.5772000    


%chk=000066419-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000066419

0 1
O -5.218518 1.195576 -0.258446
O 2.265374 -3.035204 -0.136204
O 5.793438 0.554461 -0.505632
C -2.800893 0.629793 -0.119882
C -2.067663 -0.677026 0.315989
C -0.573433 -0.667993 -0.049041
C 0.110228 0.552800 0.647760
C -4.241577 0.267942 0.328071
C -2.156585 1.818425 0.629656
C -2.980199 -1.823396 -0.200321
C -0.627677 1.893798 0.367713
C -4.426829 -1.222152 -0.112327
C -2.784440 0.872758 -1.652098
C 0.141468 -1.965408 0.386196
C 1.607029 0.588644 0.317467
C 1.636923 -1.957471 0.082185
C 2.325670 -0.624593 0.064595
C 2.339814 1.799475 0.276652
C 3.715057 -0.609325 -0.207978
C 3.724573 1.822538 0.007115
C 4.415664 0.609111 -0.234470
H -2.114927 -0.702816 1.430948
H -0.462907 -0.559996 -1.148330
H 0.016251 0.359469 1.743467
H -4.293249 0.336286 1.439085
H -2.332790 1.695439 1.719563
H -2.633542 2.771489 0.331869
H -2.872219 -2.740426 0.405093
H -2.724101 -2.090398 -1.242788
H -0.435678 2.204080 -0.677866
H -0.206717 2.690254 1.011404
H -4.924466 -1.239560 -1.099578
H -5.066418 -1.782705 0.593794
H -1.774868 1.119984 -2.021866
H -3.140247 -0.006525 -2.217581
H -3.458704 1.712048 -1.892139
H -0.296349 -2.863460 -0.084121
H 0.023894 -2.090372 1.485919
H -6.124507 0.951649 0.056266
H 1.830670 2.750628 0.454971
H 4.232078 -1.555206 -0.394275
H 4.260368 2.780924 -0.016574
H 6.192803 1.459658 -0.502659


