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Geometry for CH2CHCH2CH2CH3 (1-pentene) 1A C1

1910171554
InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3 INChIKey=YWAKXRMUMFPDSH-UHFFFAOYSA-N

B1B95/6-31+G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 2.4785 -0.2169 -0.2976   -2.4768 -0.2616 0.2749
C2 1.4087 0.3421 0.2677   -1.4104 0.3734 -0.2109
C3 0.0721 -0.3121 0.4243   -0.0735 -0.2496 -0.4636
C4 -1.0542 0.4485 -0.2810   1.0548 0.4068 0.3367
C5 -2.4184 -0.1972 -0.0763   2.4190 -0.2010 0.0375
H6 3.4199 0.3149 -0.3860   -3.4185 0.2505 0.4412
H7 2.4475 -1.2302 -0.6891   -2.4426 -1.3198 0.5201
H8 1.4870 1.3621 0.6447   -1.4919 1.4361 -0.4406
H9 0.1177 -1.3396 0.0456   -0.1160 -1.3202 -0.2328
H10 -0.1725 -0.3831 1.4931   0.1662 -0.1693 -1.5328
H11 -1.0762 1.4814 0.0864   1.0736 1.4810 0.1179
H12 -0.8263 0.5099 -1.3508   0.8317 0.3169 1.4054
H13 -3.2058 0.3605 -0.5898   3.2080 0.2807 0.6207
H14 -2.4320 -1.2214 -0.4612   2.4358 -1.2691 0.2746
H15 -2.6797 -0.2406 0.9855   2.6755 -0.0944 -1.0211
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13 H14 H15
C1 1.3328 2.5142 3.5948 4.9019 1.0848 1.0868 2.0890 2.6366 3.2034 3.9581 3.5439 5.7210 5.0149 5.3154
C2 1.3328 1.4964 2.5255 3.8802 2.1149 2.1134 1.0903 2.1317 2.1279 2.7396 2.7646 4.6936 4.2104 4.1916
C3 2.5142 1.4964 1.5312 2.5428 3.5011 2.7794 2.2031 1.0960 1.0987 2.1562 2.1526 3.4965 2.8074 2.8093
C4 3.5948 2.5255 1.5312 1.5231 4.4773 3.9047 2.8547 2.1628 2.1486 1.0965 1.0954 2.1755 2.1725 2.1729
C5 4.9019 3.8802 2.5428 1.5231 5.8688 5.0119 4.2665 2.7842 2.7462 2.1553 2.1584 1.0931 1.0942 1.0944
H6 1.0848 2.1149 3.5011 4.4773 5.8688 1.8506 2.4280 3.7186 4.1138 4.6689 4.3588 6.6290 6.0507 6.2765
H7 1.0868 2.1134 2.7794 3.9047 5.0119 1.8506 3.0695 2.4454 3.5134 4.5133 3.7661 5.8737 4.8849 5.4838
H8 2.0890 1.0903 2.2031 2.8547 4.2665 2.4280 3.0695 3.0876 2.5533 2.6260 3.1717 4.9548 4.8225 4.4773
H9 2.6366 2.1317 1.0960 2.1628 2.7842 3.7186 2.4454 3.0876 1.7591 3.0635 2.5024 3.7868 2.6023 3.1490
H10 3.2034 2.1279 1.0987 2.1486 2.7462 4.1138 3.5134 2.5533 1.7591 2.5043 3.0516 3.7540 3.1028 2.5620
H11 3.9581 2.7396 2.1562 1.0965 2.1553 4.6689 4.5133 2.6260 3.0635 2.5043 1.7526 2.4998 3.0730 2.5189
H12 3.5439 2.7646 2.1526 1.0954 2.1584 4.3588 3.7661 3.1717 2.5024 3.0516 1.7526 2.5027 2.5233 3.0751
H13 5.7210 4.6936 3.4965 2.1755 1.0931 6.6290 5.8737 4.9548 3.7868 3.7540 2.4998 2.5027 1.7657 1.7663
H14 5.0149 4.2104 2.8074 2.1725 1.0942 6.0507 4.8849 4.8225 2.6023 3.1028 3.0730 2.5233 1.7657 1.7653
H15 5.3154 4.1916 2.8093 2.1729 1.0944 6.2765 5.4838 4.4773 3.1490 2.5620 2.5189 3.0751 1.7663 1.7653
Maximum atom distance is 6.6290Å between atoms H6 and H13.
picture of 1-pentene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 125.312 C2 C3 C4 113.056
C3 C4 C5 112.722
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 118.775 C2 C1 H6 121.707
C2 C1 H7 121.396 C2 C3 H9 109.663
C2 C3 H10 109.199 C3 C2 H8 115.910
C3 C4 H11 109.170 C3 C4 H12 108.945
C4 C3 H9 109.710 C4 C3 H10 108.449
C4 C5 H13 111.458 C4 C5 H14 111.146
C4 C5 H15 111.166 C5 C4 H11 109.654
C5 C4 H12 109.955 H6 C1 H7 116.896
H9 C3 H10 106.547 H11 C4 H12 106.179
H13 C5 H14 107.660 H13 C5 H15 107.698
H14 C5 H15 107.525

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