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Geometry for C6H12 ((E)-2-Hexene) 1A C1

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

HF/STO-3G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 3.1919 0.2239 -0.1614   -3.1931 0.2357 -0.1138
C2 1.7900 -0.3599 -0.2299   -1.7888 -0.3185 -0.2918
C3 0.7594 0.0889 0.4443   -0.7590 0.0006 0.4537
C4 -0.6463 -0.4946 0.3730   0.6490 -0.5528 0.2731
C5 -1.6807 0.5337 -0.1485   1.6782 0.5597 -0.0472
C6 -3.1067 -0.0482 -0.2043   3.1065 0.0050 -0.2124
H7 3.2288 1.0682 0.5198   -3.2324 0.9372 0.7135
H8 3.9039 -0.5248 0.1802   -3.9013 -0.5669 0.0819
H9 3.5164 0.5604 -1.1440   -3.5207 0.7491 -1.0157
H10 1.6741 -1.2097 -0.8938   -1.6704 -1.0282 -1.1033
H11 0.8749 0.9397 1.1067   -0.8770 0.7116 1.2640
H12 -0.9515 -0.8256 1.3661   0.9573 -1.0627 1.1863
H13 -0.6463 -1.3683 -0.2750   0.6517 -1.2896 -0.5272
H14 -1.3867 0.8659 -1.1425   1.3811 1.0710 -0.9610
H15 -1.6732 1.4088 0.4988   1.6680 1.2979 0.7527
H16 -3.8080 0.6953 -0.5718   3.8041 0.8074 -0.4345
H17 -3.1454 -0.9085 -0.8660   3.1478 -0.7158 -1.0236
H18 -3.4320 -0.3643 0.7824   3.4348 -0.4890 0.6974
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 H7 H8 H9 H10 H11 H12 H13 H14 H15 H16 H17 H18
C1 1.5202 2.5104 3.9412 4.8825 6.3046 1.0854 1.0882 1.0882 2.2125 2.7366 4.5390 4.1569 4.7264 5.0507 7.0278 6.4761 6.7165
C2 1.5202 1.3107 2.5133 3.5848 4.9066 2.1614 2.1597 2.1595 1.0845 2.0768 3.2062 2.6371 3.5252 3.9564 5.7068 5.0064 5.3191
C3 2.5104 1.3107 1.5236 2.5502 3.9225 2.6575 3.2147 3.2165 2.0768 1.0845 2.1479 2.1487 2.7798 2.7682 4.7182 4.2378 4.2293
C4 3.9412 2.5133 1.5236 1.5490 2.5664 4.1809 4.5544 4.5544 2.7387 2.2157 1.0904 1.0878 2.1670 2.1664 3.5079 2.8200 2.8186
C5 4.8825 3.5848 2.5502 1.5490 1.5411 4.9835 5.6936 5.2917 3.8535 2.8760 2.1618 2.1688 1.0885 1.0885 2.1750 2.1772 2.1771
C6 6.3046 4.9066 3.9225 2.5664 1.5411 6.4737 7.0373 6.7171 4.9679 4.3067 2.7776 2.7931 2.1620 2.1615 1.0861 1.0860 1.0860
H7 1.0854 2.1614 2.6575 4.1809 4.9835 6.4737 1.7631 1.7631 3.0990 2.4294 4.6666 4.6459 4.9098 4.9138 7.1307 6.8160 6.8181
H8 1.0882 2.1597 3.2147 4.5544 5.6936 7.0373 1.7631 1.7554 2.5680 3.4897 5.0072 4.6501 5.6280 5.9114 7.8440 7.1369 7.3623
H9 1.0882 2.1595 3.2165 4.5544 5.2917 6.7171 1.7631 1.7554 2.5671 3.4910 5.3089 4.6694 4.9126 5.5092 7.3480 6.8275 7.2695
H10 2.2125 1.0845 2.0768 2.7387 3.8535 4.9679 3.0990 2.5680 2.5671 3.0431 3.4855 2.4067 3.7066 4.4722 5.8126 4.8290 5.4402
H11 2.7366 2.0768 1.0845 2.2157 2.8760 4.3067 2.4294 3.4897 3.4910 3.0431 2.5533 3.0903 3.1904 2.6613 4.9806 4.8446 4.5116
H12 4.5390 3.2062 2.1479 1.0904 2.1618 2.7776 4.6666 5.0072 5.3089 3.4855 2.5533 1.7552 3.0567 2.5031 3.7720 3.1308 2.5896
H13 4.1569 2.6371 2.1487 1.0878 2.1688 2.7931 4.6459 4.6501 4.6694 2.4067 3.0903 1.7552 2.5085 3.0604 3.7872 2.6089 3.1442
H14 4.7264 3.5252 2.7798 2.1670 1.0885 2.1620 4.9098 5.6280 4.9126 3.7066 3.1904 3.0567 2.5085 1.7523 2.4935 2.5136 3.0662
H15 5.0507 3.9564 2.7682 2.1664 1.0885 2.1615 4.9138 5.9114 5.5092 4.4722 2.6613 2.5031 3.0604 1.7523 2.4925 3.0660 2.5135
H16 7.0278 5.7068 4.7182 3.5079 2.1750 1.0861 7.1307 7.8440 7.3480 5.8126 4.9806 3.7720 3.7872 2.4935 2.4925 1.7600 1.7601
H17 6.4761 5.0064 4.2378 2.8200 2.1772 1.0860 6.8160 7.1369 6.8275 4.8290 4.8446 3.1308 2.6089 2.5136 3.0660 1.7600 1.7594
H18 6.7165 5.3191 4.2293 2.8186 2.1771 1.0860 6.8181 7.3623 7.2695 5.4402 4.5116 2.5896 3.1442 3.0662 2.5135 1.7601 1.7594
Maximum atom distance is 7.8440Å between atoms H8 and H16.
picture of (E)-2-Hexene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 124.778 C2 C3 C4 124.765
C3 C4 C5 112.190 C4 C5 C6 112.301
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H10 115.278 C2 C1 H7 110.999
C2 C1 H8 110.695 C2 C1 H9 110.678
C2 C3 H11 119.943 C3 C2 H10 119.944
C3 C4 H12 109.386 C3 C4 H13 109.600
C4 C3 H11 115.291 C4 C5 H14 109.249
C4 C5 H15 109.200 C5 C4 H12 108.736
C5 C4 H13 109.430 C5 C6 H16 110.565
C5 C6 H17 110.743 C5 C6 H18 110.738
C6 C5 H14 109.396 C6 C5 H15 109.358
H7 C1 H8 108.417 H7 C1 H9 108.415
H8 C1 H9 107.524 H12 C4 H13 107.376
H14 C5 H15 107.204 H16 C6 H17 108.248
H16 C6 H18 108.256 H17 C6 H18 108.196

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