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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

MP2/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.9768 -0.0448 -0.0734   1.9765 -0.0555 -0.0745
H2 2.0573 -0.8249 -0.8387   2.0521 -0.8108 -0.8648
H3 2.6648 0.7630 -0.3373   2.6699 0.7558 -0.3119
H4 2.3426 -0.4879 0.8665   2.3390 -0.5313 0.8505
C5 0.5752 0.4458 0.0467   0.5782 0.4403 0.0613
H6 0.4103 1.4607 0.3983   0.4198 1.4442 0.4456
C7 -0.5705 -0.5070 0.1044   -0.5739 -0.5063 0.0878
H8 -0.5731 -1.0434 1.0694   -0.5804 -1.0738 1.0349
H9 -0.4326 -1.2863 -0.6575   -0.4408 -1.2614 -0.6990
C10 -1.9250 0.1699 -0.0912   -1.9238 0.1855 -0.0859
H11 -2.0934 0.9289 0.6786   -2.0875 0.9202 0.7081
H12 -1.9748 0.6623 -1.0660   -1.9700 0.7097 -1.0442
H13 -2.7404 -0.5563 -0.0325   -2.7440 -0.5367 -0.0510
Atom - Atom Distances (Å)
  C1 H2 H3 H4 C5 H6 C7 H8 H9 C10 H11 H12 H13
C1 1.0958 1.0934 1.1016 1.4898 2.2232 2.5950 2.9674 2.7726 3.9077 4.2521 4.1353 4.7450
H2 1.0958 1.7725 1.7614 2.1436 3.0768 2.8100 3.2570 2.5387 4.1721 4.7546 4.3036 4.8724
H3 1.0934 1.7725 1.7656 2.1481 2.4720 3.5036 3.9656 3.7277 4.6345 4.8683 4.6976 5.5722
H4 1.1016 1.7614 1.7656 2.1604 2.7838 3.0112 2.9751 3.2652 4.4229 4.6605 4.8680 5.1624
C5 1.4898 2.1436 2.1481 2.1604 1.0866 1.4913 2.1407 2.1241 2.5192 2.7847 2.7907 3.4647
H6 2.2232 3.0768 2.4720 2.7838 1.0866 2.2181 2.7727 3.0612 2.7128 2.5749 2.9104 3.7657
C7 2.5950 2.8100 3.5036 3.0112 1.4913 2.2181 1.1041 1.0986 1.5267 2.1704 2.1701 2.1748
H8 2.9674 3.2570 3.9656 2.9751 2.1407 2.7727 1.1041 1.7496 2.1556 2.5207 3.0715 2.4797
H9 2.7726 2.5387 3.7277 3.2652 2.1241 3.0612 1.0986 1.7496 2.1607 3.0742 2.5185 2.5000
C10 3.9077 4.1721 4.6345 4.4229 2.5192 2.7128 1.5267 2.1556 2.1607 1.0941 1.0933 1.0935
H11 4.2521 4.7546 4.8683 4.6605 2.7847 2.5749 2.1704 2.5207 3.0742 1.0941 1.7689 1.7692
H12 4.1353 4.3036 4.6976 4.8680 2.7907 2.9104 2.1701 3.0715 2.5185 1.0933 1.7689 1.7718
H13 4.7450 4.8724 5.5722 5.1624 3.4647 3.7657 2.1748 2.4797 2.5000 1.0935 1.7692 1.7718
Maximum atom distance is 5.5722Å between atoms H3 and H13.
picture of 2-Butyl radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C5 C7 121.031 C5 C7 C10 113.165
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C5 H6 118.454 H2 C1 H3 108.130
H2 C1 H4 106.567 H2 C1 C5 111.094
H3 C1 H4 107.104 H3 C1 C5 111.602
H4 C1 C5 112.088 C5 C7 H8 110.248
C5 C7 H9 109.265 H6 C5 C7 117.877
C7 C10 H11 110.734 C7 C10 H12 110.755
C7 C10 H13 111.119 H8 C7 H9 105.177
H8 C7 C10 108.981 H9 C7 C10 109.699
H11 C10 H12 107.931 H11 C10 H13 107.946
H12 C10 H13 108.234

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