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CHEMICAL molecule Data  |  1988-06-26  |  2.9 KB  |  62 lines

  1. chemical_name("Zn(NH3)4++")
  2. chemical(a(17,"H ",o("1s",1,"σ",5)))
  3. chemical(a(5,"N ",o("sp3'",1,"σ",17)))
  4. chemical(a(16,"H ",o("1s",1,"σ",5)))
  5. chemical(a(5,"N ",o("sp3`",1,"σ",16)))
  6. chemical(a(15,"H ",o("1s",1,"σ",5)))
  7. chemical(a(5,"N ",o("sp3^",1,"σ",15)))
  8. chemical(a(14,"H ",o("1s",1,"σ",4)))
  9. chemical(a(4,"N ",o("sp3'",1,"σ",14)))
  10. chemical(a(13,"H ",o("1s",1,"σ",4)))
  11. chemical(a(4,"N ",o("sp3`",1,"σ",13)))
  12. chemical(a(12,"H ",o("1s",1,"σ",4)))
  13. chemical(a(4,"N ",o("sp3^",1,"σ",12)))
  14. chemical(a(11,"H ",o("1s",1,"σ",3)))
  15. chemical(a(3,"N ",o("sp3~",1,"σ",11)))
  16. chemical(a(10,"H ",o("1s",1,"σ",3)))
  17. chemical(a(3,"N ",o("sp3'",1,"σ",10)))
  18. chemical(a(9,"H ",o("1s",1,"σ",3)))
  19. chemical(a(3,"N ",o("sp3^",1,"σ",9)))
  20. chemical(a(8,"H ",o("1s",1,"σ",2)))
  21. chemical(a(2,"N ",o("sp3~",1,"σ",8)))
  22. chemical(a(7,"H ",o("1s",1,"σ",2)))
  23. chemical(a(2,"N ",o("sp3`",1,"σ",7)))
  24. chemical(a(6,"H ",o("1s",1,"σ",2)))
  25. chemical(a(2,"N ",o("sp3^",1,"σ",6)))
  26. chemical(a(5,"N ",o("sp3~",1,"σ",1)))
  27. chemical(a(1,"Zn",o("sp3^",1,"σ",5)))
  28. chemical(a(4,"N ",o("sp3~",1,"σ",1)))
  29. chemical(a(1,"Zn",o("sp3~",1,"σ",4)))
  30. chemical(a(3,"N ",o("sp3`",1,"σ",1)))
  31. chemical(a(1,"Zn",o("sp3'",1,"σ",3)))
  32. chemical(a(2,"N ",o("sp3'",1,"σ",1)))
  33. chemical(a(1,"Zn",o("sp3`",1,"σ",2)))
  34. atomlocation(17,l(-1508,-373,2389,0.375,6.0565728372,-1.4522928161,0.010637074747,3848),1)
  35. atomlocation(16,l(-2770,80,438,0.375,0.95589942198,-3.6055736367,6.0547603375,3848),1)
  36. atomlocation(15,l(-1973,-2108,848,0.375,4.8101011327,-3.5760508668,0.92997150473,3848),1)
  37. atomlocation(14,l(-107,-2318,-2256,0.375,1.57079633,0,4.712387211,3848),1)
  38. atomlocation(13,l(-1293,-386,-2935,0.375,0.6187285472,-3.6615905292,6.2167196253,3848),1)
  39. atomlocation(12,l(1071,-386,-2949,0.375,0.60925065069,-5.7515996014,0.064781425378,3848),1)
  40. atomlocation(11,l(582,2889,-1124,0.375,0.38623592051,-5.2355857606,0.035547061292,3848),1)
  41. atomlocation(10,l(-1468,2890,60,0.375,4.712387201,-3.14159265,5.9431785611,3848),1)
  42. atomlocation(9,l(581,2885,1246,0.375,5.9001681286,-1.0491932294,0.034877880853,3848),1)
  43. atomlocation(8,l(1992,-2302,1010,0.375,4.8517030824,-5.1031179221,5.9467094179,3848),1)
  44. atomlocation(7,l(1918,-581,2631,0.375,6.0828349704,-1.56415019,0.00066728831551,3848),1)
  45. atomlocation(6,l(3044,-221,584,0.375,0.80206725518,-5.7784120109,0.14096820165,3848),1)
  46. atomlocation(5,l(-1675,-696,986,0.74,4.0908823865,62.365948415,5.1057593529,3596),1)
  47. atomlocation(4,l(-107,-869,-2256,0.74,0.00001465039554,62.83185308,6.2831566873,3596),1)
  48. atomlocation(3,l(-101,2407,60,0.74,3.141590871,0.52,1.2307963268,3596),1)
  49. atomlocation(2,l(1909,-869,1211,0.74,2.1894828727,32.466744656,0.29998843039,3596),1)
  50. atomlocation(1,l(-101,-50,60,1.15,6.2832,6.2832,6.2832,3334),1)
  51. commandactive("Files")
  52. viewshown("Fnt")
  53. grid(8)
  54. atom_count(18)
  55. valencelist(1,0,2)
  56. valencelist(1,0,2)
  57. valencelist(5,1,5)
  58. valencelist(4,1,5)
  59. valencelist(3,1,5)
  60. valencelist(2,1,5)
  61. valencelist(1,1,2)
  62.