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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

HSEh1PBE/6-311G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 2.4762 0.9411 -0.0768   -2.4822 0.9270 -0.0502
C2 1.9898 -0.4712 -0.1393   -1.9872 -0.4806 -0.1439
C3 0.7679 -0.9280 0.1355   -0.7618 -0.9355 0.1179
C4 -0.4369 -0.1451 0.5552   0.4393 -0.1541 0.5509
C5 -1.5845 -0.2493 -0.4517   1.5847 -0.2298 -0.4612
C6 -2.8290 0.5071 -0.0103   2.8257 0.5249 -0.0071
H7 1.6995 1.6498 0.2144   -1.7091 1.6342 0.2539
H8 3.3002 1.0378 0.6391   -3.3047 1.0034 0.6697
H9 2.8712 1.2598 -1.0479   -2.8819 1.2637 -1.0132
H10 2.7393 -1.2016 -0.4438   -2.7330 -1.2090 -0.4618
H11 0.6006 -2.0009 0.0325   -0.5881 -2.0049 -0.0083
H12 -0.1889 0.9094 0.7133   0.1853 0.8952 0.7319
H13 -0.7889 -0.5218 1.5261   0.7964 -0.5491 1.5126
H14 -1.2410 0.1276 -1.4220   1.2362 0.1654 -1.4223
H15 -1.8312 -1.3065 -0.6098   1.8375 -1.2818 -0.6422
H16 -3.6350 0.4187 -0.7440   3.6302 0.4571 -0.7447
H17 -3.2079 0.1269 0.9440   3.2097 0.1270 0.9378
H18 -2.6198 1.5734 0.1223   2.6103 1.5869 0.1485
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 H7 H8 H9 H10 H11 H12 H13 H14 H15 H16 H17 H18
C1 1.4951 2.5411 3.1726 4.2482 5.3234 1.0910 1.0958 1.0956 2.1897 3.4908 2.7800 3.9206 4.0360 4.8877 6.1697 5.8322 5.1390
C2 1.4951 1.3331 2.5451 3.5947 4.9187 2.1698 2.1448 2.1445 1.0899 2.0735 2.7166 3.2400 3.5273 3.9394 5.7267 5.3429 5.0495
C3 2.5411 1.3331 1.4969 2.5178 3.8754 2.7421 3.2451 3.2574 2.0728 1.0907 2.1507 2.1266 2.7525 2.7302 4.6875 4.1921 4.2112
C4 3.1726 2.5451 1.4969 1.5303 2.5431 2.8110 3.9207 3.9353 3.4931 2.1894 1.0947 1.0993 2.1518 2.1564 3.4977 2.8113 2.8118
C5 4.2482 3.5947 2.5178 1.5303 1.5218 3.8516 5.1678 4.7419 4.4274 2.8420 2.1557 2.1492 1.0961 1.0971 2.1763 2.1737 2.1734
C6 5.3234 4.9187 3.8754 2.5431 1.5218 4.6759 6.1863 5.8425 5.8406 4.2490 2.7668 2.7533 2.1584 2.1550 1.0935 1.0948 1.0947
H7 1.0910 2.1698 2.7421 2.8110 3.8516 4.6759 1.7655 1.7659 3.1056 3.8169 2.0889 3.5537 3.6935 4.6781 5.5580 5.1898 4.3210
H8 1.0958 2.1448 3.2451 3.9207 5.1678 6.1863 1.7655 1.7547 2.5499 4.1097 3.4923 4.4654 5.0694 5.7781 7.0988 6.5786 5.9666
H9 1.0956 2.1445 3.2574 3.9353 4.7419 5.8425 1.7659 1.7547 2.5379 4.1177 3.5481 4.8162 4.2816 5.3750 6.5674 6.4966 5.6230
H10 2.1897 1.0899 2.0728 3.4931 4.4274 5.8406 3.1056 2.5499 2.5379 2.3323 3.7907 4.0976 4.3088 4.5747 6.5838 6.2497 6.0614
H11 3.4908 2.0735 1.0907 2.1894 2.8420 4.2490 3.8169 4.1097 4.1177 2.3323 3.0914 2.5198 3.1682 2.6093 4.9394 4.4568 4.8120
H12 2.7800 2.7166 2.1507 1.0947 2.1557 2.7668 2.0889 3.4923 3.5481 3.7907 3.0914 1.7518 2.5055 3.0590 3.7735 3.1272 2.5883
H13 3.9206 3.2400 2.1266 1.0993 2.1492 2.7533 3.5537 4.4654 4.8162 4.0976 2.5198 1.7518 3.0524 2.5028 3.7600 2.5712 3.1166
H14 4.0360 3.5273 2.7525 2.1518 1.0961 2.1584 3.6935 5.0694 4.2816 4.3088 3.1682 2.5055 3.0524 1.7506 2.5051 3.0768 2.5252
H15 4.8877 3.9394 2.7302 2.1564 1.0971 2.1550 4.6781 5.7781 5.3750 4.5747 2.6093 3.0590 2.5028 1.7506 2.4996 2.5227 3.0744
H16 6.1697 5.7267 4.6875 3.4977 2.1763 1.0935 5.5580 7.0988 6.5674 6.5838 4.9394 3.7735 3.7600 2.5051 2.4996 1.7654 1.7648
H17 5.8322 5.3429 4.1921 2.8113 2.1737 1.0948 5.1898 6.5786 6.4966 6.2497 4.4568 3.1272 2.5712 3.0768 2.5227 1.7654 1.7645
H18 5.1390 5.0495 4.2112 2.8118 2.1734 1.0947 4.3210 5.9666 5.6230 6.0614 4.8120 2.5883 3.1166 2.5252 3.0744 1.7648 1.7645
Maximum atom distance is 7.0988Å 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 127.830 C2 C3 C4 128.045
C3 C4 C5 112.550 C4 C5 C6 112.864
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H10 114.896 C2 C1 H7 113.149
C2 C1 H8 110.815 C2 C1 H9 110.794
C2 C3 H11 117.272 C3 C2 H10 117.273
C3 C4 H12 111.223 C3 C4 H13 109.033
C4 C3 H11 114.676 C4 C5 H14 108.910
C4 C5 H15 109.213 C5 C4 H12 109.296
C5 C4 H13 108.521 C5 C6 H16 111.590
C5 C6 H17 111.302 C5 C6 H18 111.286
C6 C5 H14 110.009 C6 C5 H15 109.685
H7 C1 H8 107.671 H7 C1 H9 107.715
H8 C1 H9 106.397 H12 C4 H13 105.969
H14 C5 H16 94.063 H16 C6 H17 107.554
H16 C6 H18 107.506 H17 C6 H18 107.390

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