Accuracy

###
43 Carbon, tetramer

(Previous) (Back) (Next) Geometry predicted using PM7

###  |  |
# | Species | Formula
33 | Cyclopropyl, cation | C3H5 |
34 | Propenyl, cation | C3H5 |
35 | Allyl | C3H5 |
36 | Cyclopropane (Geo) | C3H6 |
37 | Cyclopropane | C3H6 |
38 | Propene | C3H6 |
39 | Propene (Geo) | C3H6 |
40 | i-Propyl radical | C3H7 |
41 | Propane | C3H8 |
42 | Propane (Geo) | C3H8 |
43 | Carbon, tetramer | C4 |
44 | Diacetylene (Geo) | C4H2 |
45 | Diacetylene | C4H2 |
46 | CH2=C=C=CH2 (Geo) | C4H4 |
47 | CH2=C=C=CH2 | C4H4 |
48 | Vinylacetylene (Geo) | C4H4 |
49 | Vinylacetylene | C4H4 |
50 | 1,2-Butadiene | C4H6 |
51 | 1,3-Butadiene | C4H6 |
52 | 1-Butyne | C4H6 |
53 | 2-Butyne | C4H6 |

ΔHf: 232.0 kcal/mol

     UHF TRIPLET
    Carbon, tetramer
     H=232.0 HR=JANAF86
      C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
      C     1.30777468 +1    0.0000000 +0    0.0000000 +0     1     0     0
      C     1.27941804 +1  179.9998768 +1  180.0000000 +0     2     1     0
      C     1.30777468 +1  179.9997846 +1 -170.0000000 +1     3     2     1