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Geometry for C5H10 (2-Butene, 2-methyl-) 1A' CS

1910171554
InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3 INChIKey=BKOOMYPCSUNDGP-UHFFFAOYSA-N

HF/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.5259 0.4666 0.0000   0.3050 -1.5663 0.0000
H2 -1.9592 -0.5257 0.0000   -0.7272 -1.8937 0.0000
H3 -1.8907 0.9970 0.8768   0.7944 -1.9843 0.8768
H4 -1.8907 0.9970 -0.8768   0.7944 -1.9843 -0.8768
C5 0.2982 -2.0982 0.0000   -2.0557 0.5154 0.0000
H6 0.6882 -2.6113 -0.8767   -2.5253 0.9567 -0.8767
H7 0.6882 -2.6113 0.8767   -2.5253 0.9567 0.8767
H8 -0.7800 -2.2025 0.0000   -2.2718 -0.5460 0.0000
C9 0.7454 -0.6453 0.0000   -0.5640 0.8086 0.0000
H10 1.8224 -0.5237 0.0000   -0.3308 1.8671 0.0000
C11 0.0000 0.4390 0.0000   0.4366 -0.0458 0.0000
C12 0.6392 1.8273 0.0000   1.8840 0.4452 0.0000
H13 1.7220 1.7616 0.0000   1.9316 1.5289 0.0000
H14 0.3291 2.3912 0.8772   2.4125 0.0780 0.8772
H15 0.3291 2.3912 -0.8772   2.4125 0.0780 -0.8772
Atom - Atom Distances (Å)
  C1 H2 H3 H4 C5 H6 H7 H8 C9 H10 C11 C12 H13 H14 H15
C1 1.0828 1.0877 1.0877 3.1474 3.8916 3.8916 2.7714 2.5289 3.4917 1.5262 2.5572 3.4966 2.8133 2.8133
H2 1.0828 1.7584 1.7584 2.7512 3.4824 3.4824 2.0499 2.7073 3.7817 2.1839 3.5055 4.3340 3.8098 3.8098
H3 1.0877 1.7584 1.7535 3.8911 4.7691 4.4351 3.4984 3.2271 4.1071 2.1575 2.8033 3.7954 2.6213 3.1540
H4 1.0877 1.7584 1.7535 3.8911 4.4351 4.7691 3.4984 3.2271 4.1071 2.1575 2.8033 3.7954 3.1540 2.6213
C5 3.1474 2.7512 3.8911 3.8911 1.0881 1.0881 1.0833 1.5202 2.1914 2.5547 3.9403 4.1141 4.5744 4.5744
H6 3.8916 3.4824 4.7691 4.4351 1.0881 1.7535 1.7582 2.1534 2.5324 3.2475 4.5246 4.5782 5.3131 5.0153
H7 3.8916 3.4824 4.4351 4.7691 1.0881 1.7535 1.7582 2.1534 2.5324 3.2475 4.5246 4.5782 5.0153 5.3131
H8 2.7714 2.0499 3.4984 3.4984 1.0833 1.7582 1.7582 2.1798 3.0969 2.7542 4.2724 4.6876 4.8064 4.8064
C9 2.5289 2.7073 3.2271 3.2271 1.5202 2.1534 2.1534 2.1798 1.0839 1.3157 2.4749 2.5975 3.1879 3.1879
H10 3.4917 3.7817 4.1071 4.1071 2.1914 2.5324 2.5324 3.0969 1.0839 2.0611 2.6320 2.2876 3.3906 3.3906
C11 1.5262 2.1839 2.1575 2.1575 2.5547 3.2475 3.2475 2.7542 1.3157 2.0611 1.5284 2.1713 2.1654 2.1654
C12 2.5572 3.5055 2.8033 2.8033 3.9403 4.5246 4.5246 4.2724 2.4749 2.6320 1.5284 1.0848 1.0879 1.0879
H13 3.4966 4.3340 3.7954 3.7954 4.1141 4.5782 4.5782 4.6876 2.5975 2.2876 2.1713 1.0848 1.7623 1.7623
H14 2.8133 3.8098 2.6213 3.1540 4.5744 5.3131 5.0153 4.8064 3.1879 3.3906 2.1654 1.0879 1.7623 1.7543
H15 2.8133 3.8098 3.1540 2.6213 4.5744 5.0153 5.3131 4.8064 3.1879 3.3906 2.1654 1.0879 1.7623 1.7543
Maximum atom distance is 5.3131Å between atoms H6 and H14.
picture of 2-Butene, 2-methyl-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C11 C9 125.548 C1 C11 C12 113.682
C5 C9 C11 128.386 C9 C11 C12 120.771
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 H3 108.219 H2 C1 H4 108.219
H2 C1 C11 112.550 H3 C1 H4 107.432
H3 C1 C11 110.129 H4 C1 C11 110.129
C5 C9 H10 113.542 H6 C5 H7 107.368
H6 C5 H8 108.140 H6 C5 C9 110.197
H7 C5 H8 108.140 H7 C5 C9 110.197
H8 C5 C9 112.627 H10 C9 C11 118.072
C11 C12 H13 111.248 C11 C12 H14 110.586
C11 C12 H15 110.586 H13 C12 H14 108.415
H13 C12 H15 108.415 H14 C12 H15 107.473

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