chg

已经编译好的levoo程序

H2O molecule                            
    1.000000000000000     
     0.000000    2.100000    2.100000
     2.100000    0.000000    2.100000
     2.100000    2.100000    0.000000
   1   1
Direct
  0.000000  0.000000  0.000000
  0.500000  0.500000  0.500000

   36   36   36
 -1.2860     -1.1677     -.85012     -.42818     -.78085E-02 0.34203     0.60661     0.81082     0.99586      1.1844    
  1.3817      1.5729      1.7446      1.8869      2.0003      2.0892      2.1553      2.1976      2.2090      2.1976    
  2.1553      2.0892      2.0003      1.8869      1.7446      1.5729      1.3817      1.1844     0.99586     0.81082    
 0.60661     0.34203     -.78085E-02 -.42818     -.85012     -1.1677     -1.1677     -.94983     -.58232     -.16744    
 0.20732     0.50220     0.72593     0.91428      1.0996      1.2941      1.4908      1.6738      1.8317      1.9604    
  2.0616      2.1387      2.1967      2.2202      2.2202      2.1967      2.1388      2.0614      1.9604      1.8318    
  1.6738      1.4909      1.2941      1.0998     0.91424     0.72607     0.50204     0.20717     -.16745     -.58247    
 -.94967     -1.1676     -.85012     -.58232     -.22741     0.12901     0.42913     0.66360     0.85565      1.0382    
  1.2293      1.4279      1.6203      1.7929      1.9368      2.0540      2.1449      2.2122      2.2557      2.2673    
  2.2559      2.2122      2.1449      2.0540      1.9366      1.7929      1.6205      1.4280      1.2294      1.0382    
 0.85567     0.66359     0.42904     0.12902     -.22738     -.58233     -.85008     -.94967     -.42818     -.16744    
 0.12901     0.40259     0.62950     0.81933     0.99790      1.1848      1.3830      1.5818      1.7666      1.9267    
  2.0595      2.1668      2.2499      2.3116      2.3366      2.3367      2.3116      2.2499      2.1668      2.0596    
  1.9268      1.7665      1.5818      1.3830      1.1849     0.99791     0.81935     0.62943     0.40240     0.12900    
 -.16745     -.42812     -.58233     -.58247     -.78085E-02 0.20732     0.42913     0.62950     0.80711     0.97864    
  1.1594      1.3551      1.5570      1.7509      1.9251      2.0742      2.1983      2.2979      2.3750      2.4204    
  2.4334      2.4203      2.3752      2.2979      2.1982      2.0742      1.9253      1.7509      1.5571      1.3551    
  1.1593     0.97862     0.80729     0.62950     0.42930     0.20732     -.78774E-02 -.16745     -.22738     -.16744    
 0.34203     0.50220     0.66360     0.81933     0.97864      1.1509      1.3415      1.5428      1.7423      1.9274    
  2.0914      2.2320      2.3500      2.4438      2.5104      2.5393      2.5393      2.5104      2.4437      2.3502    
  2.2322      2.0913      1.9275      1.7424      1.5427      1.3416      1.1510     0.97869     0.81936     0.66355    
 0.50205     0.34189     0.20732     0.12900     0.12902     0.20717     0.60661     0.72593     0.85565     0.99790    
  1.1594      1.3415      1.5389      1.7385      1.9309      2.1060      2.2623      2.3975      2.5104      2.5981    
  2.6460      2.6616      2.6461      2.5981      2.5103      2.3975      2.2624      2.1061      1.9308      1.7385    
  1.5390      1.3415      1.1595     0.99790     0.85577     0.72592     0.60657     0.50205     0.42930     0.40240    
 0.42904     0.50204     0.81082     0.91428      1.0382      1.1848      1.3551      1.5428      1.7385      1.9320    
  2.1146      2.2825      2.4335      2.5644      2.6737      2.7416      2.7762      2.7761      2.7416      2.6738    
  2.5644      2.4335      2.2826      2.1147      1.9320      1.7385      1.5427      1.3550      1.1849      1.0381    
 0.91424     0.81094     0.72592     0.66355     0.62950     0.62943     0.66359     0.72607     0.99586      1.0996    
  1.2293      1.3830      1.5570      1.7423      1.9309      2.1146      2.2900      2.4530      2.6004      2.7287    
  2.8188      2.8733      2.8922      2.8733      2.8187      2.7286      2.6006      2.4530      2.2899      2.1146    
  1.9309      1.7423      1.5573      1.3830      1.2295      1.0996     0.99591     0.91424     0.85577     0.81936    
 0.80729     0.81935     0.85567     0.91425      1.1844      1.2941      1.4279      1.5818      1.7509      1.9274    
  2.1060      2.2825      2.4530      2.6125      2.7572      2.8680      2.9440      2.9836      2.9837      2.9440    
  2.8680      2.7572      2.6125      2.4531      2.2826      2.1061      1.9275      1.7507      1.5818      1.4278    
  1.2941      1.1844      1.0996      1.0381     0.99790     0.97869     0.97862     0.99791      1.0382      1.0998    
  1.3817      1.4908      1.6203      1.7666      1.9251      2.0914      2.2623      2.4335      2.6004      2.7572    
  2.8853      2.9813      3.0425      3.0632      3.0424      2.9813      2.8852      2.7572      2.6007      2.4335    
  2.2622      2.0914      1.9254      1.7666      1.6206      1.4908      1.3817      1.2941      1.2295      1.1849    
  1.1595      1.1510      1.1593      1.1849      1.2294      1.2941      1.5729      1.6738      1.7929      1.9267    
  2.0742      2.2320      2.3975      2.5644      2.7287      2.8680      2.9813      3.0625      3.1046      3.1047    
  3.0625      2.9813      2.8680      2.7287      2.5644      2.3977      2.2322      2.0741      1.9268      1.7929    
  1.6738      1.5729      1.4908      1.4278      1.3830      1.3550      1.3415      1.3416      1.3551      1.3830    
  1.4280      1.4909      1.7446      1.8317      1.9368      2.0595      2.1983      2.3500      2.5104      2.6737    
  2.8188      2.9440      3.0425      3.1046      3.1269      3.1046      3.0425      2.9440      2.8186      2.6737    
  2.5102      2.3500      2.1984      2.0595      1.9367      1.8317      1.7445      1.6738      1.6206      1.5818    
  1.5573      1.5427      1.5390      1.5427      1.5571      1.5818      1.6205      1.6738      1.8869      1.9604    
  2.0540      2.1668      2.2979      2.4438      2.5981      2.7416      2.8733      2.9836      3.0632      3.1047    
  3.1046      3.0632      2.9837      2.8733      2.7416      2.5983      2.4437      2.2974      2.1668      2.0542    
  1.9604      1.8870      1.8317      1.7929      1.7666      1.7507      1.7423      1.7385      1.7385      1.7424    
  1.7509      1.7665      1.7929      1.8318      2.0003      2.0616      2.1449      2.2499      2.3750      2.5104    
  2.6460      2.7762      2.8922      2.9837      3.0424      3.0625      3.0425      2.9837      2.8923      2.7762    
  2.6464      2.5104      2.3750      2.2499      2.1449      2.0616      1.9998      1.9604      1.9367      1.9268    
  1.9254      1.9275      1.9309      1.9320      1.9308      1.9275      1.9253      1.9268      1.9366      1.9604    
  2.0892      2.1387      2.2122      2.3116      2.4204      2.5393      2.6616      2.7761      2.8733      2.9440    
  2.9813      2.9813      2.9440      2.8733      2.7762      2.6620      2.5393      2.4206      2.3116      2.2114    
  2.1389      2.0894      2.0616      2.0542      2.0595      2.0741      2.0914      2.1061      2.1146      2.1147    
  2.1061      2.0913      2.0742      2.0596      2.0540      2.0614      2.1553      2.1967      2.2557      2.3366    
  2.4334      2.5393      2.6461      2.7416      2.8187      2.8680      2.8852      2.8680      2.8186      2.7416    
  2.6464      2.5393      2.4339      2.3366      2.2550      2.1967      2.1561      2.1389      2.1449      2.1668    
  2.1984      2.2322      2.2622      2.2826      2.2899      2.2826      2.2624      2.2322      2.1982      2.1668    
  2.1449      2.1388      2.1976      2.2202      2.2673      2.3367      2.4203      2.5104      2.5981      2.6738    
  2.7286      2.7572      2.7572      2.7287      2.6737      2.5983      2.5104      2.4206      2.3366      2.2664    
  2.2201      2.1984      2.1967      2.2114      2.2499      2.2974      2.3500      2.3977      2.4335      2.4531    
  2.4530      2.4335      2.3975      2.3502      2.2979      2.2499      2.2122      2.1967      2.2090      2.2202    
  2.2559      2.3116      2.3752      2.4437      2.5103      2.5644      2.6006      2.6125      2.6007      2.5644    
  2.5102      2.4437      2.3750      2.3116      2.2550      2.2201      2.2097      2.2201      2.2550      2.3116    
  2.3750      2.4437      2.5102      2.5644      2.6007      2.6125      2.6006      2.5644      2.5103      2.4437    
  2.3752      2.3116      2.2559      2.2202      2.1976      2.1967      2.2122      2.2499      2.2979      2.3502    
  2.3975      2.4335      2.4530      2.4531      2.4335      2.3977      2.3500      2.2974      2.2499      2.2114    
  2.1967      2.1984      2.2201      2.2664      2.3366      2.4206      2.5104      2.5983      2.6737      2.7287    
  2.7572      2.7572      2.7286      2.6738      2.5981      2.5104      2.4203      2.3367      2.2673      2.2202    
  2.1553      2.1388      2.1449      2.1668      2.1982      2.2322      2.2624      2.2826      2.2899      2.2826    
  2.2622      2.2322      2.1984      2.1668      2.1449      2.1389      2.1561      2.1967      2.2550      2.3366    
  2.4339      2.5393      2.6464      2.7416      2.8186      2.8680      2.8852      2.8680      2.8187      2.7416    
  2.6461      2.5393      2.4334      2.3366      2.2557      2.1967      2.0892      2.0614      2.0540      2.0596    
  2.0742      2.0913      2.1061      2.1147      2.1146      2.1061      2.0914      2.0741      2.0595      2.0542    
  2.0616      2.0894      2.1389      2.2114      2.3116      2.4206      2.5393      2.6620      2.7762      2.8733    
  2.9440      2.9813      2.9813      2.9440      2.8733      2.7761      2.6616      2.5393      2.4204      2.3116    
  2.2122      2.1387      2.0003      1.9604      1.9366      1.9268      1.9253      1.9275      1.9308      1.9320    
  1.9309      1.9275      1.9254      1.9268      1.9367      1.9604      1.9998      2.0616      2.1449      2.2499    
  2.3750      2.5104      2.6464      2.7762      2.8923      2.9837      3.0425      3.0625      3.0424      2.9837    
  2.8922      2.7762      2.6460      2.5104      2.3750      2.2499      2.1449      2.0616      1.8869      1.8318    
  1.7929      1.7665      1.7509      1.7424      1.7385      1.7385      1.7423      1.7507      1.7666      1.7929    
  1.8317      1.8870      1.9604      2.0542      2.1668      2.2974      2.4437      2.5983      2.7416      2.8733    
  2.9837      3.0632      3.1046      3.1047      3.0632      2.9836      2.8733      2.7416      2.5981      2.4438    
  2.2979      2.1668      2.0540      1.9604      1.7446      1.6738      1.6205      1.5818      1.5571      1.5427    
  1.5390      1.5427      1.5573      1.5818      1.6206      1.6738      1.7445      1.8317      1.9367      2.0595    
  2.1984      2.3500      2.5102      2.6737      2.8186      2.9440      3.0425      3.1046      3.1269      3.1046    
  3.0425      2.9440      2.8188      2.6737      2.5104      2.3500      2.1983      2.0595      1.9368      1.8317    
  1.5729      1.4909      1.4280      1.3830      1.3551      1.3416      1.3415      1.3550      1.3830      1.4278    
  1.4908      1.5729      1.6738      1.7929      1.9268      2.0741      2.2322      2.3977      2.5644      2.7287    
  2.8680      2.9813      3.0625      3.1047      3.1046      3.0625      2.9813      2.8680      2.7287      2.5644    
  2.3975      2.2320      2.0742      1.9267      1.7929      1.6738      1.3817      1.2941      1.2294      1.1849    
  1.1593      1.1510      1.1595      1.1849      1.2295      1.2941      1.3817      1.4908      1.6206      1.7666    
  1.9254      2.0914      2.2622      2.4335      2.6007      2.7572      2.8852      2.9813      3.0424      3.0632    
  3.0425      2.9813      2.8853      2.7572      2.6004      2.4335      2.2623      2.0914      1.9251      1.7666    
  1.6203      1.4908      1.1844      1.0998      1.0382     0.99791     0.97862     0.97869     0.99790      1.0381    
  1.0996      1.1844      1.2941      1.4278      1.5818      1.7507      1.9275      2.1061      2.2826      2.4531    
  2.6125      2.7572      2.8680      2.9440      2.9837      2.9836      2.9440      2.8680      2.7572      2.6125