Accuracy

cyclobutane    128 Cyclobutane

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    #  Species Formula
   118 CyclobuteneC4H6
   119 Methyl cyclopropeneC4H6
   120 MethylenecyclopropaneC4H6
   121 1,3-Butadiene (Geo)C4H6
   122 2-Butenyl, cationC4H7
   123 Cyclobutyl, cationC4H7
   124 1-ButeneC4H8
   125 1-Butene (Geo)C4H8
   126 cis-2-ButeneC4H8
   127 Cyclobutane (Geo)C4H8
   128 Cyclobutane C4H8
   129 Isobutene (Geo)C4H8
   130 IsobuteneC4H8
   131 trans-2-Butene (Geo)C4H8
   132 trans-2-ButeneC4H8
   133 Isobutyl, cationC4H9
   134 IsobutylC4H9
   135 n-Butane (Geo)C4H10
   136 Isobutane (Geo)C4H10
   137 IsobutaneC4H10
   138 n-Butane, transC4H10


ΔHf: 6.8 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
I.P.: 10.7 eV,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
  
 SYMMETRY PM7
Cyclobutane
 I=10.7 IR=LLNBS82 HR=C&P1970 H=6.78,0.14
 
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.55229725 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.55229725 +0   89.9974896 +1    0.0000000 +0     1     2     0
  C     1.55229725 +0   44.9985778 +1  179.9942621 +1     3     2     1
  H     1.09162906 +1  114.5061388 +1  117.0844724 +1     1     2     3
  H     1.09163129 +1  114.5162818 +1 -117.0988933 +1     1     2     3
  H     1.09167182 +1  114.5026960 +1 -117.0871030 +1     4     2     1
  H     1.09167553 +1  114.5124721 +1  117.0926888 +1     4     2     1
  H     1.09164479 +1  114.5148714 +1  117.1042112 +1     2     1     3
  H     1.09164519 +1  114.5034726 +1 -117.0797522 +1     2     1     3
  H     1.09165715 +1  114.5024931 +1  117.0799669 +1     3     1     2
  H     1.09165685 +1  114.5139287 +1 -117.1044470 +1     3     1     2
 
   2  1    3    4