20
 DFT/B3LYP
  2.53851   -0.878378 -1.61334
  0.875039  -2.42179  -0.974302
 -1.1845    -2.91509  -2.16582
  1.00737    0.60107  -2.48274
 -1.00734   -0.600434 -2.48292
  4.02619    0.11196   0.0151302
  1.26783   -2.98572   1.24923
 -2.23347   -1.72529  -0.284104
  1.18454    2.91566  -2.16507
 -2.53848    0.87878  -1.61315
 -4.0262    -0.111962  0.0150469
 -0.875022   2.42203  -0.973697
  2.23349    1.72538  -0.283627
 -0.745592  -1.79548   1.56621
  2.30277   -0.839761  1.43551
 -2.3028     0.839395  1.43569
 -1.21187   -0.316437  3.25261
  1.21181    0.315589  3.2527
 -1.26784    2.9854    1.24998
  0.74557    1.79509   1.56666

20
 GTBMD
       0.0188     -0.2172      2.0547
       1.6550     -0.4372      0.3558
       1.4898      0.3480     -1.9281
      -1.7680     -0.4801      0.6038
      -0.7608     -0.3655     -1.5222
       0.0268     -1.8503      3.8678
       3.3103     -1.9408      1.1214
       1.3176     -2.0531     -2.3724
      -3.6126     -1.9024      1.1637
      -1.6515     -2.1930     -2.6330
       0.0330     -3.5145     -3.8038
      -2.6315     -3.1187     -0.6850
      -1.6031     -2.7090      2.3055
       2.3357     -3.2468     -0.6087
       1.5193     -2.9666      2.3382
      -0.0947     -4.7812     -1.7561
       1.8785     -5.5266     -0.5629
       1.3244     -5.3259      1.8200
      -2.1060     -5.4223     -0.6229
      -0.8218     -4.6568      1.2247
 
 20
 OTBMD
         .067683          .161327         2.103968
        1.671376         -.381806          .484596
        1.344869          .220806        -1.778216
       -1.632092         -.429169          .637062
        -.868308         -.466014        -1.544718
         .040467        -1.822460         3.422486
        3.312727        -1.927796         1.115565
        1.475478        -2.051244        -2.279997
       -3.403758        -1.886815         1.038136
       -1.983366        -2.077356        -2.789693
        -.078031        -3.372543        -3.395361
       -2.662816        -3.147845         -.819518
       -1.670468        -2.868911         2.247372
        2.598515        -3.250972         -.647982
        1.625084        -3.075626         2.235123
        -.077869        -4.886208        -1.606484
        1.932715        -5.460053         -.516476
        1.249058        -5.355526         1.765525
       -2.119155        -5.416617         -.621152
        -.962915        -4.865171         1.310170