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Geometry for C6H12 ((Z)-hex-2-ene) 1A C1

1910171554
InChI=1S/C6H12/c1-3-5-6-4-2/h3,5H,4,6H2,1-2H3/b5-3- INChIKey=RYPKRALMXUUNKS-HYXAFXHYSA-N

PBEPBE/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 2.5106 0.9375 -0.0838   -2.5167 0.9231 -0.0558
C2 2.0100 -0.4792 -0.1342   -2.0074 -0.4888 -0.1394
C3 0.7692 -0.9276 0.1432   -0.7629 -0.9355 0.1245
C4 -0.4381 -0.1253 0.5494   0.4405 -0.1348 0.5452
C5 -1.6071 -0.2600 -0.4493   1.6074 -0.2396 -0.4594
C6 -2.8586 0.5080 -0.0107   2.8553 0.5263 -0.0071
H7 1.7294 1.6594 0.2026   -1.7393 1.6435 0.2445
H8 3.3420 1.0378 0.6395   -3.3466 1.0019 0.6718
H9 2.9148 1.2492 -1.0654   -2.9257 1.2541 -1.0291
H10 2.7618 -1.2254 -0.4281   -2.7552 -1.2330 -0.4479
H11 0.5904 -2.0090 0.0492   -0.5776 -2.0134 0.0058
H12 -0.1845 0.9435 0.6700   0.1805 0.9294 0.6904
H13 -0.7895 -0.4709 1.5440   0.7969 -0.5003 1.5309
H14 -1.2725 0.0968 -1.4414   1.2677 0.1372 -1.4423
H15 -1.8526 -1.3320 -0.5776   1.8593 -1.3070 -0.6124
H16 -3.6784 0.3960 -0.7409   3.6737 0.4358 -0.7419
H17 -3.2277 0.1467 0.9662   3.2295 0.1456 0.9603
H18 -2.6488 1.5877 0.0938   2.6390 1.6020 0.1221
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 H7 H8 H9 H10 H11 H12 H13 H14 H15 H16 H17 H18
C1 1.5033 2.5618 3.1977 4.3038 5.3868 1.1015 1.1066 1.1064 2.2044 3.5195 2.7985 3.9400 4.1063 4.9428 6.2473 5.8869 5.2032
C2 1.5033 1.3483 2.5663 3.6374 4.9692 2.1831 2.1619 2.1617 1.0992 2.0951 2.7362 3.2640 3.5799 3.9804 5.7873 5.3886 5.1018
C3 2.5618 1.3483 1.5054 2.5384 3.9046 2.7602 3.2755 3.2868 2.0941 1.1001 2.1652 2.1448 2.7801 2.7489 4.7238 4.2198 4.2440
C4 3.1977 2.5663 1.5054 1.5434 2.5639 2.8291 3.9561 3.9672 3.5221 2.2037 1.1051 1.1100 2.1700 2.1741 3.5265 2.8337 2.8335
C5 4.3038 3.6374 2.5384 1.5434 1.5325 3.9040 5.2310 4.8067 4.4743 2.8525 2.1737 2.1648 1.1061 1.1072 2.1922 2.1898 2.1895
C6 5.3868 4.9692 3.9046 2.5639 1.5325 4.7351 6.2571 5.9156 5.8964 4.2702 2.7936 2.7670 2.1752 2.1724 1.1036 1.1050 1.1048
H7 1.1015 2.1831 2.7602 2.8291 3.9040 4.7351 1.7826 1.7836 3.1282 3.8443 2.0962 3.5613 3.7625 4.7316 5.6331 5.2388 4.3802
H8 1.1066 2.1619 3.2755 3.9561 5.2310 6.2571 1.7826 1.7703 2.5687 4.1477 3.5279 4.4904 5.1487 5.8379 7.1836 6.6379 6.0407
H9 1.1064 2.1617 3.2868 3.9672 4.8067 5.9156 1.7836 1.7703 2.5599 4.1547 3.5652 4.8466 4.3593 5.4432 6.6561 6.5630 5.6931
H10 2.2044 1.0992 2.0941 3.5221 4.4743 5.8964 3.1282 2.5687 2.5599 2.3573 3.8197 4.1316 4.3647 4.6180 6.6485 6.3008 6.1204
H11 3.5195 2.0951 1.1001 2.2037 2.8525 4.2702 3.8443 4.1477 4.1547 2.3573 3.1150 2.5504 3.1823 2.6114 4.9629 4.4795 4.8405
H12 2.7985 2.7362 2.1652 1.1051 2.1737 2.7936 2.0962 3.5279 3.5652 3.8197 3.1150 1.7694 2.5216 3.0850 3.8076 3.1598 2.6115
H13 3.9400 3.2640 2.1448 1.1100 2.1648 2.7670 3.5613 4.4904 4.8466 4.1316 2.5504 1.7694 3.0770 2.5245 3.7839 2.5808 3.1301
H14 4.1063 3.5799 2.7801 2.1700 1.1061 2.1752 3.7625 5.1487 4.3593 4.3647 3.1823 2.5216 3.0770 1.7675 2.5236 3.1018 2.5443
H15 4.9428 3.9804 2.7489 2.1741 1.1072 2.1724 4.7316 5.8379 5.4432 4.6180 2.6114 3.0850 2.5245 1.7675 2.5192 2.5418 3.0999
H16 6.2473 5.7873 4.7238 3.5265 2.1922 1.1036 5.6331 7.1836 6.6561 6.6485 4.9629 3.8076 3.7839 2.5236 2.5192 1.7830 1.7824
H17 5.8869 5.3886 4.2198 2.8337 2.1898 1.1050 5.2388 6.6379 6.5630 6.3008 4.4795 3.1598 2.5808 3.1018 2.5418 1.7830 1.7811
H18 5.2032 5.1018 4.2440 2.8335 2.1895 1.1048 4.3802 6.0407 5.6931 6.1204 4.8405 2.6115 3.1301 2.5443 3.0999 1.7824 1.7811
Maximum atom distance is 7.1836Å between atoms H8 and H16.
picture of (Z)-hex-2-ene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 127.805 C2 C3 C4 128.049
C3 C4 C5 112.727 C4 C5 C6 112.930
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H10 114.897 C2 C1 H7 112.970
C2 C1 H8 110.948 C2 C1 H9 110.938
C2 C3 H11 117.320 C3 C2 H10 117.297
C3 C4 H12 111.149 C3 C4 H13 109.251
C4 C3 H11 114.621 C4 C5 H14 108.853
C4 C5 H15 109.111 C5 C4 H12 109.198
C5 C4 H13 108.233 C5 C6 H16 111.494
C5 C6 H17 111.222 C5 C6 H18 111.206
C6 C5 H14 110.002 C6 C5 H15 109.713
H7 C1 H8 107.667 H7 C1 H9 107.763
H8 C1 H9 106.252 H12 C4 H13 106.022
H14 C5 H16 94.012 H16 C6 H17 107.672
H16 C6 H18 107.631 H17 C6 H18 107.419

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