%chk=000068941.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068941

0 1
 O   0.1962000      0.4584000       1.829400    
 O    3.827600      -2.619500      0.9111000    
 O    2.117800      -3.264900     -0.4378000    
 C   0.5556000      0.7570000     -0.5543000    
 C    1.663600       1.599100      -1.220300    
 C   0.9883000     -0.7187000     -0.5585000    
 C    1.473000       3.106200      -1.052700    
 C  -0.7767000      0.8807000      -1.307700    
 C   0.3500000       1.239300      0.8891000    
 C    1.366600       3.477900      0.4218000    
 C   0.2325000       2.734400       1.108400    
 C    2.296200     -0.9379000      0.1813000    
 C   -1.845200      4.9100000E-02 -0.6622000    
 C   -2.028000      -1.269900      -1.063200    
 C   -2.643700      0.6039000      0.3321000    
 C    2.710300      -2.388500      0.1787000    
 C   -3.021400      -2.043500     -0.4628000    
 C   -3.637000     -0.1698000      0.9325000    
 C   -3.825800      -1.493400      0.5350000    
 H    1.729700       1.359500      -2.288900    
 H    2.648700       1.395000     -0.7947000    
 H   0.2601000      -1.361000     -5.4400001E-02
 H    1.081500      -1.084000      -1.589900    
 H   0.5798000       3.442200      -1.590800    
 H    2.324300       3.632700      -1.500100    
 H  -0.6548000      0.5736000      -2.355500    
 H   -1.121100       1.921200      -1.353900    
 H    1.213100       4.558300      0.5210000    
 H    2.314200       3.241700      0.9222000    
 H  -0.7350000       3.077900      0.7320000    
 H   0.2609000       2.936100       2.184800    
 H    3.129100     -0.4239000     -0.3042000    
 H    2.246100     -0.6210000       1.225800    
 H   -1.421300      -1.709000      -1.850400    
 H   -2.528400       1.637200      0.6424000    
 H   -3.171000      -3.073000     -0.7749000    
 H   -4.266700      0.2597000       1.706200    
 H   -4.600400      -2.095100       1.001100    
 H    4.090800      -3.564200      0.8898000    


%chk=000068941-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068941

0 1
O 0.496821 0.625366 2.022338
O 3.994974 -2.751543 0.881388
O 2.281106 -3.351090 -0.562274
C 0.640234 0.759550 -0.430484
C 1.677640 1.625179 -1.229213
C 1.071140 -0.733167 -0.389508
C 1.429520 3.149696 -1.166586
C -0.753393 0.854170 -1.187298
C 0.477133 1.349438 0.989599
C 1.379143 3.638080 0.297643
C 0.297396 2.865851 1.101585
C 2.401678 -1.034345 0.327700
C -1.894867 0.020434 -0.619763
C -2.201043 -1.251652 -1.170125
C -2.694380 0.496818 0.452290
C 2.830484 -2.475367 0.142382
C -3.266965 -2.028045 -0.663176
C -3.760089 -0.275486 0.964579
C -4.050982 -1.542562 0.408418
H 1.680767 1.276284 -2.281431
H 2.692943 1.432103 -0.829634
H 0.277580 -1.317002 0.107571
H 1.129427 -1.105501 -1.431448
H 0.484069 3.413684 -1.679873
H 2.238091 3.672983 -1.712304
H -0.549155 0.535006 -2.228653
H -1.061498 1.914730 -1.237397
H 1.167685 4.722986 0.342503
H 2.367684 3.482946 0.774551
H -0.700543 3.140146 0.702466
H 0.312423 3.133297 2.172375
H 3.237075 -0.404090 -0.034416
H 2.310870 -0.834993 1.410414
H -1.600617 -1.636681 -2.003617
H -2.486700 1.480224 0.892231
H -3.484548 -3.007904 -1.102846
H -4.362269 0.110416 1.794866
H -4.878295 -2.142298 0.804045
H 4.248963 -3.703859 0.738599


