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Geometry for CH3CHCH2CH3 (2-Butyl radical) 1A C1

1910171554
InChI=1S/C4H9/c1-3-4-2/h3H,4H2,1-2H3 INChIKey=ULOIAOPTGWSNHU-UHFFFAOYSA-N

TPSSh/6-31+G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.9900 -0.0469 -0.0740   1.9902 -0.0315 -0.0759
C2 -0.5809 0.4501 0.0437   0.5779 0.4523 0.0578
C3 0.5737 -0.5069 0.1044   -0.5703 -0.5137 0.0885
C4 1.9397 0.1680 -0.0911   -1.9408 0.1581 -0.0853
H5 -2.6811 0.7582 -0.3440   2.6760 0.7862 -0.3206
H6 -2.0723 -0.8372 -0.8309   2.0774 -0.7970 -0.8573
H7 -2.3490 -0.4794 0.8756   2.3525 -0.4913 0.8595
H8 -0.4189 1.4693 0.3960   0.4094 1.4588 0.4421
H9 0.4344 -1.2937 -0.6510   -0.4262 -1.2754 -0.6914
H10 0.5692 -1.0315 1.0773   -0.5620 -1.0687 1.0444
H11 2.1129 0.9311 0.6763   -2.1187 0.8954 0.7058
H12 2.7549 -0.5607 -0.0287   -2.7512 -0.5776 -0.0458
H13 1.9952 0.6578 -1.0689   -1.9999 0.6781 -1.0472
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12 H13
C1 1.4988 2.6107 3.9355 1.0949 1.0974 1.1035 2.2334 2.7866 2.9740 4.2841 4.7728 4.1675
C2 1.4988 1.5008 2.5398 2.1579 2.1556 2.1639 1.0905 2.1341 2.1415 2.8086 3.4863 2.8137
C3 2.6107 1.5008 1.5361 3.5207 2.8258 3.0228 2.2306 1.0997 1.1053 2.1827 2.1860 2.1804
C4 3.9355 2.5398 1.5361 4.6652 4.2016 4.4437 2.7374 2.1716 2.1638 1.0960 1.0952 1.0951
H5 1.0949 2.1579 3.5207 4.6652 1.7757 1.7690 2.4842 3.7432 3.9734 4.9045 5.6026 4.7332
H6 1.0974 2.1556 2.8258 4.2016 1.7757 1.7654 3.0918 2.5543 3.2644 4.7869 4.9012 4.3401
H7 1.1035 2.1639 3.0228 4.4437 1.7690 1.7654 2.7844 3.2774 2.9768 4.6838 5.1841 4.8935
H8 2.2334 1.0905 2.2306 2.7374 2.4842 3.0918 2.7844 3.0755 2.7739 2.6036 3.7914 2.9381
H9 2.7866 2.1341 1.0997 2.1716 3.7432 2.5543 3.2774 3.0755 1.7533 3.0869 2.5118 2.5336
H10 2.9740 2.1415 1.1053 2.1638 3.9734 3.2644 2.9768 2.7739 1.7533 2.5290 2.4944 3.0812
H11 4.2841 2.8086 2.1827 1.0960 4.9045 4.7869 4.6838 2.6036 3.0869 2.5290 1.7705 1.7704
H12 4.7728 3.4863 2.1860 1.0952 5.6026 4.9012 5.1841 3.7914 2.5118 2.4944 1.7705 1.7732
H13 4.1675 2.8137 2.1804 1.0951 4.7332 4.3401 4.8935 2.9381 2.5336 3.0812 1.7704 1.7732
Maximum atom distance is 5.6026Å between atoms H5 and H12.
picture of 2-Butyl radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C5 C7 36.586 C5 C7 C10 111.132
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C5 H6 35.953 H2 C1 H3 29.524
H2 C1 H4 16.961 H2 C1 C5 111.656
H3 C1 H4 13.931 H3 C1 C5 140.024
H4 C1 C5 126.093 C5 C7 H8 61.431
C5 C7 H9 90.695 H6 C5 C7 59.740
C7 C10 H11 116.342 C7 C10 H12 142.553
C7 C10 H13 107.746 H8 C7 H9 60.327
H8 C7 C10 57.448 H9 C7 C10 32.104
H11 C10 H12 41.267 H11 C10 H13 35.071
H12 C10 H13 35.129

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.