home *** CD-ROM | disk | FTP | other *** search
/ Lion Share / lionsharecd.iso / dos_misc / chem2.zip / CO(NH3)6.DAT < prev    next >
Text File  |  1987-09-07  |  4KB  |  89 lines
  1. chemical_name("[Co(NH3)6]3+")
  2. chemical(a(25,"H",o("1s",1,"σ",7)))
  3. chemical(a(7,"N",o("sp3'",1,"σ",25)))
  4. chemical(a(24,"H",o("1s",1,"σ",7)))
  5. chemical(a(7,"N",o("sp3`",1,"σ",24)))
  6. chemical(a(23,"H",o("1s",1,"σ",7)))
  7. chemical(a(7,"N",o("sp3^",1,"σ",23)))
  8. chemical(a(22,"H",o("1s",1,"σ",6)))
  9. chemical(a(6,"N",o("sp3'",1,"σ",22)))
  10. chemical(a(21,"H",o("1s",1,"σ",6)))
  11. chemical(a(6,"N",o("sp3`",1,"σ",21)))
  12. chemical(a(20,"H",o("1s",1,"σ",6)))
  13. chemical(a(6,"N",o("sp3^",1,"σ",20)))
  14. chemical(a(19,"H",o("1s",1,"σ",5)))
  15. chemical(a(5,"N",o("sp3'",1,"σ",19)))
  16. chemical(a(18,"H",o("1s",1,"σ",5)))
  17. chemical(a(5,"N",o("sp3`",1,"σ",18)))
  18. chemical(a(17,"H",o("1s",1,"σ",5)))
  19. chemical(a(5,"N",o("sp3^",1,"σ",17)))
  20. chemical(a(16,"H",o("1s",1,"σ",4)))
  21. chemical(a(4,"N",o("sp3'",1,"σ",16)))
  22. chemical(a(15,"H",o("1s",1,"σ",4)))
  23. chemical(a(4,"N",o("sp3`",1,"σ",15)))
  24. chemical(a(14,"H",o("1s",1,"σ",4)))
  25. chemical(a(4,"N",o("sp3^",1,"σ",14)))
  26. chemical(a(13,"H",o("1s",1,"σ",3)))
  27. chemical(a(3,"N",o("sp3'",1,"σ",13)))
  28. chemical(a(12,"H",o("1s",1,"σ",3)))
  29. chemical(a(3,"N",o("sp3`",1,"σ",12)))
  30. chemical(a(11,"H",o("1s",1,"σ",3)))
  31. chemical(a(3,"N",o("sp3^",1,"σ",11)))
  32. chemical(a(10,"H",o("1s",1,"σ",2)))
  33. chemical(a(2,"N",o("sp3'",1,"σ",10)))
  34. chemical(a(9,"H",o("1s",1,"σ",2)))
  35. chemical(a(2,"N",o("sp3`",1,"σ",9)))
  36. chemical(a(8,"H",o("1s",1,"σ",2)))
  37. chemical(a(2,"N",o("sp3^",1,"σ",8)))
  38. chemical(a(7,"N",o("sp3~",1,"σ",1)))
  39. chemical(a(1,"CO",o("d2sp3:",1,"σ",7)))
  40. chemical(a(6,"N",o("sp3~",1,"σ",1)))
  41. chemical(a(1,"CO",o("d2sp3+",1,"σ",6)))
  42. chemical(a(5,"N",o("sp3~",1,"σ",1)))
  43. chemical(a(1,"CO",o("d2sp3~",1,"σ",5)))
  44. chemical(a(4,"N",o("sp3~",1,"σ",1)))
  45. chemical(a(1,"CO",o("d2sp3^",1,"σ",4)))
  46. chemical(a(3,"N",o("sp3~",1,"σ",1)))
  47. chemical(a(1,"CO",o("d2sp3`",1,"σ",3)))
  48. chemical(a(2,"N",o("sp3~",1,"σ",1)))
  49. chemical(a(1,"CO",o("d2sp3'",1,"σ",2)))
  50. atomlocation(1,l(0,-1,0,0.65,0,0,0,11),1)
  51. atomlocation(2,l(0,1754,0,0.7,1.9107972172,62.83185308,6.2809330878,5),1)
  52. atomlocation(3,l(0,-1756,0,0.7,5.0523898772,62.83185308,0.0022522221653,5),1)
  53. atomlocation(4,l(1755,-1,0,0.7,3.4815935472,64.400397185,3.141590871,5),1)
  54. atomlocation(5,l(0,-1,1755,0.7,3.4815935472,62.83185308,4.712387201,5),1)
  55. atomlocation(6,l(-1755,-1,0,0.7,3.4815935472,61.263308975,0,5),1)
  56. atomlocation(7,l(0,-1,-1755,0.7,0.34000089717,62.83185308,4.712387201,5),1)
  57. atomlocation(8,l(1137,2226,662,0.375,5.6642161208,-0.52740871261,0.067406134262,1),1)
  58. atomlocation(9,l(-1142,2218,658,0.375,5.6684521698,-2.619196797,6.2177134826,1),1)
  59. atomlocation(10,l(1,2220,-1317,0.375,0.3400000852,-4.7131895739,0.0001374346279,1),1)
  60. atomlocation(11,l(1137,-2228,-662,0.375,5.6642161304,-5.7557765959,6.2157773977,1),1)
  61. atomlocation(12,l(-1142,-2220,-658,0.375,5.668452173,-3.6639885054,0.065470052701,1),1)
  62. atomlocation(13,l(1,-2222,1317,0.375,0.3399983126,-1.5699957351,6.2830461046,1),1)
  63. atomlocation(14,l(2227,661,1137,0.375,5.7557730366,-1.1775086472,0.070459147109,1),1)
  64. atomlocation(15,l(2219,657,-1142,0.375,0.52239407061,-5.0984592631,0.068869979488,1),1)
  65. atomlocation(16,l(2221,-1318,1,0.375,1.5699921735,-0.0022682759677,5.0546555643,1),1)
  66. atomlocation(17,l(-662,-1137,2229,0.375,1.1752546467,-2.5200673927,0.45896842764,1),1)
  67. atomlocation(18,l(-658,1142,2217,0.375,5.0962052625,-2.5294764869,5.8114588748,1),1)
  68. atomlocation(19,l(1317,-1,2221,0.375,0,-0.34000089359,0,1),1)
  69. atomlocation(20,l(-2227,-663,1137,0.375,0.5274069341,-1.9640836333,0.070458691007,1),1)
  70. atomlocation(21,l(-2219,-659,-1142,0.375,5.7607876766,-4.3263183409,0.06887042598,1),1)
  71. atomlocation(22,l(-2221,1316,1,0.375,4.7131877959,-3.1393294133,5.0546505321,1),1)
  72. atomlocation(23,l(662,-1137,-2229,0.375,5.1079263658,-5.6616571665,5.8242144865,1),1)
  73. atomlocation(24,l(658,1142,-2217,0.375,1.1869775595,-5.6710720599,0.47172406574,1),1)
  74. atomlocation(25,l(-1317,-1,-2221,0.375,0,-3.4815935472,0,1),1)
  75. commandactive("Files")
  76. viewshown("Fnt")
  77. grid(8)
  78. atom_count(26)
  79. valencelist(7,1,5)
  80. valencelist(6,1,5)
  81. valencelist(5,1,5)
  82. valencelist(4,1,5)
  83. valencelist(3,1,5)
  84. valencelist(2,1,5)
  85. valencelist(1,1,3)
  86. valencelist(1,0,3)
  87. valencelist(1,0,3)
  88. valencelist(1,0,3)
  89.