Oct 4, 2009

74-82-8 METHANE CH4

METHANE / CH4 mopac_74-82-8

  • CAS RN:74-82-8
  • InChI:InChI=1S/CH4/h1H4
  • FORMULA:CH4

    METHANE / CH4 mopac_74-82-8

    HEAT OF FORMATION

    -6.3 KCAL (MINDO/3 EF)
    

    EIGENVECTORS

               -27.1   -13.3   -13.3   -13.3    2.9     4.0     4.0     4.0
      
      S   C  1  0.7955  0.0007 -0.0000  0.0002 -0.6059 -0.0005  0.0001  0.0018
      Px  C  1  0.0003 -0.3405 -0.0124 -0.5773  0.0014 -0.6408 -0.0088  0.3741
      Py  C  1  0.0002 -0.5769 -0.0143  0.3409  0.0014  0.3740 -0.0067  0.6410
      Pz  C  1 -0.0000  0.0186 -0.6700  0.0034 -0.0001  0.0042 -0.7421 -0.0102
      S   H  2  0.3030 -0.3255 -0.0119 -0.5542  0.3959  0.5025  0.0068 -0.2927
      S   H  3  0.3030 -0.4143 -0.0090  0.4913  0.3967 -0.4418  0.0027 -0.3775
      S   H  4  0.3029  0.3548  0.5350  0.0286  0.3991 -0.0269 -0.4787  0.3258
      S   H  5  0.3029  0.3840 -0.5141  0.0339  0.3993 -0.0323  0.4690  0.3389
    

      C (1s)2(2s)2(2p)2

      EIGENVECTORS

                 -19.1   -7.6     0.4     0.4
        
        S   C  1  1.0000  0.0000 -0.0000  0.0000
        Px  C  1  0.0000 -0.5783  0.8132 -0.0656
        Py  C  1  0.0000 -0.2664 -0.2643 -0.9269
        Pz  C  1  0.0000 -0.7711 -0.5186  0.3695
      

    MINDO/3 EF VECTORS
    
    
    C 0.000  0    0.000  0    0.000  0   0  0  0
    H 1.090  1    0.000  0    0.000  0   1  0  0
    H 1.090  1  109.000  1    0.000  0   1  2  0
    H 1.090  1  109.470  1  120.000  1   1  2  3
    H 1.090  1  109.470  1 -120.000  1   1  2  3