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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

TPSSh/6-31G(2df,p)


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 2.4825 -0.2156 -0.3051   -2.4808 -0.2619 0.2818
C2 1.4176 0.3406 0.2726   -1.4193 0.3730 -0.2153
C3 0.0731 -0.3151 0.4350   -0.0747 -0.2501 -0.4751
C4 -1.0548 0.4508 -0.2820   1.0555 0.4082 0.3388
C5 -2.4297 -0.1971 -0.0810   2.4303 -0.2017 0.0419
H6 3.4262 0.3133 -0.4003   -3.4248 0.2462 0.4554
H7 2.4541 -1.2267 -0.7046   -2.4492 -1.3195 0.5332
H8 1.4921 1.3588 0.6568   -1.4969 1.4354 -0.4504
H9 0.1185 -1.3447 0.0596   -0.1169 -1.3228 -0.2498
H10 -0.1733 -0.3785 1.5050   0.1671 -0.1601 -1.5443
H11 -1.0789 1.4854 0.0837   1.0764 1.4844 0.1239
H12 -0.8223 0.5071 -1.3522   0.8276 0.3112 1.4071
H13 -3.2126 0.3642 -0.6014   3.2147 0.2814 0.6335
H14 -2.4416 -1.2233 -0.4651   2.4453 -1.2721 0.2760
H15 -2.6952 -0.2371 0.9815   2.6911 -0.0896 -1.0167
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13 H14 H15
C1 1.3331 2.5225 3.5997 4.9173 1.0859 1.0875 2.0941 2.6451 3.2181 3.9659 3.5412 5.7322 5.0287 5.3353
C2 1.3331 1.5046 2.5363 3.9007 2.1185 2.1180 1.0908 2.1385 2.1370 2.7530 2.7721 4.7120 4.2289 4.2133
C3 2.5225 1.5046 1.5405 2.5582 3.5122 2.7927 2.2056 1.0969 1.0998 2.1662 2.1615 3.5116 2.8212 2.8229
C4 3.5997 2.5363 1.5405 1.5331 4.4847 3.9122 2.8623 2.1720 2.1583 1.0976 1.0966 2.1830 2.1816 2.1819
C5 4.9173 3.9007 2.5582 1.5331 5.8867 5.0299 4.2832 2.7982 2.7640 2.1640 2.1669 1.0949 1.0958 1.0960
H6 1.0859 2.1185 3.5122 4.4847 5.8867 1.8464 2.4395 3.7285 4.1310 4.6802 4.3581 6.6420 6.0660 6.2996
H7 1.0875 2.1180 2.7927 3.9122 5.0299 1.8464 3.0763 2.4603 3.5363 4.5232 3.7630 5.8867 4.9016 5.5080
H8 2.0941 1.0908 2.2056 2.8623 4.2832 2.4395 3.0763 3.0907 2.5517 2.6371 3.1808 4.9705 4.8374 4.4929
H9 2.6451 2.1385 1.0969 2.1720 2.7982 3.7285 2.4603 3.0907 1.7630 3.0731 2.5114 3.8017 2.6161 3.1613
H10 3.2181 2.1370 1.0998 2.1583 2.7640 4.1310 3.5363 2.5517 1.7630 2.5128 3.0609 3.7717 3.1210 2.5796
H11 3.9659 2.7530 2.1662 1.0976 2.1640 4.6802 4.5232 2.6371 3.0731 2.5128 1.7564 2.5058 3.0815 2.5270
H12 3.5412 2.7721 2.1615 1.0966 2.1669 4.3581 3.7630 3.1808 2.5114 3.0609 1.7564 2.5095 2.5305 3.0835
H13 5.7322 4.7120 3.5116 2.1830 1.0949 6.6420 5.8867 4.9705 3.8017 3.7717 2.5058 2.5095 1.7701 1.7705
H14 5.0287 4.2289 2.8212 2.1816 1.0958 6.0660 4.9016 4.8374 2.6161 3.1210 3.0815 2.5305 1.7701 1.7691
H15 5.3353 4.2133 2.8229 2.1819 1.0960 6.2996 5.5080 4.4929 3.1613 2.5796 2.5270 3.0835 1.7705 1.7691
Maximum atom distance is 6.6420Å 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 125.365 C2 C3 C4 112.791
C3 C4 C5 112.674
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 119.177 C2 C1 H6 121.935
C2 C1 H7 121.750 C2 C3 H9 109.581
C2 C3 H10 109.292 C3 C2 H8 115.452
C3 C4 H11 109.243 C3 C4 H12 108.934
C4 C3 H9 109.733 C4 C3 H10 108.509
C4 C5 H13 111.240 C4 C5 H14 111.075
C4 C5 H15 111.090 C5 C4 H11 109.575
C5 C4 H12 109.866 H6 C1 H7 116.315
H9 C3 H10 106.747 H11 C4 H12 106.347
H13 C5 H14 107.801 H13 C5 H15 107.832
H14 C5 H15 107.640

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