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Geometry for C6H10 (Cyclopentene, 4-methyl-) 1A C1

1910171554
InChI=1S/C6H10/c1-6-4-2-3-5-6/h2-3,6H,4-5H2,1H3 INChIKey=FWMRUAODTCVEQK-UHFFFAOYSA-N

LSDA/STO-3G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 2.4315 1.3105 -0.2291   2.4307 1.3105 -0.2375
C2 1.5490 0.6688 -0.1039   1.5487 0.6688 -0.1093
H3 2.4316 -1.3105 -0.2290   2.4308 -1.3105 -0.2374
C4 1.5491 -0.6687 -0.1039   1.5487 -0.6687 -0.1092
H5 -0.1930 1.6852 -0.9064   -0.1961 1.6852 -0.9057
H6 0.0966 2.0322 0.8156   0.0994 2.0322 0.8153
C7 0.1516 1.2399 0.0475   0.1518 1.2399 0.0470
H8 0.0967 -2.0321 0.8156   0.0995 -2.0321 0.8153
H9 -0.1929 -1.6853 -0.9064   -0.1960 -1.6853 -0.9057
C10 0.1517 -1.2399 0.0475   0.1518 -1.2399 0.0470
H11 -0.8580 -0.0000 1.5223   -0.8528 -0.0000 1.5253
C12 -0.7178 -0.0000 0.4259   -0.7163 -0.0000 0.4284
H13 -2.6727 0.8927 0.0401   -2.6725 0.8927 0.0494
H14 -2.6727 -0.8927 0.0402   -2.6726 -0.8927 0.0494
H15 -1.9832 -0.0000 -1.3443   -1.9878 -0.0000 -1.3374
C16 -2.0976 -0.0000 -0.2496   -2.0984 -0.0000 -0.2423
Atom - Atom Distances (Å)
  H1 C2 H3 C4 H5 H6 C7 H8 H9 C10 H11 C12 H13 H14 H15 C16
H1 1.0983 2.6210 2.1707 2.7363 2.6579 2.2977 4.2091 4.0400 3.4321 3.9505 3.4735 5.1284 5.5660 4.7383 4.7150
C2 1.0983 2.1707 1.3375 2.1706 2.1941 1.5172 3.2015 3.0364 2.3704 2.9809 2.4221 4.2301 4.5036 3.8029 3.7103
H3 2.6210 2.1707 1.0983 4.0400 4.2091 3.4321 2.6578 2.7363 2.2977 3.9505 3.4735 5.5660 5.1285 4.7383 4.7150
C4 2.1707 1.3375 1.0983 3.0364 3.2016 2.3704 2.1940 2.1707 1.5172 2.9809 2.4221 4.5036 4.2302 3.8030 3.7103
H5 2.7363 2.1706 4.0400 3.0364 1.7803 1.1077 4.1070 3.3704 3.0959 3.0300 2.2114 2.7700 3.7001 2.4973 2.6266
H6 2.6579 2.1941 4.2091 3.2016 1.7803 1.1048 4.0643 4.1071 3.3615 2.3539 2.2237 3.0933 4.1019 3.6222 3.1747
C7 2.2977 1.5172 3.4321 2.3704 1.1077 1.1048 3.3614 3.0960 2.4798 2.1753 1.5609 2.8456 3.5391 2.8341 2.5854
H8 4.2091 3.2015 2.6578 2.1940 4.1070 4.0643 3.3614 1.7803 1.1048 2.3538 2.2237 4.1019 3.0934 3.6222 3.1747
H9 4.0400 3.0364 2.7363 2.1707 3.3704 4.1071 3.0960 1.7803 1.1077 3.0300 2.2115 3.7002 2.7702 2.4974 2.6267
C10 3.4321 2.3704 2.2977 1.5172 3.0959 3.3615 2.4798 1.1048 1.1077 2.1753 1.5609 3.5391 2.8457 2.8341 2.5855
H11 3.9505 2.9809 3.9505 2.9809 3.0300 2.3539 2.1753 2.3538 3.0300 2.1753 1.1053 2.5073 2.5073 3.0795 2.1624
C12 3.4735 2.4221 3.4735 2.4221 2.2114 2.2237 1.5609 2.2237 2.2115 1.5609 1.1053 2.1834 2.1834 2.1759 1.5362
H13 5.1284 4.2301 5.5660 4.5036 2.7700 3.0933 2.8456 4.1019 3.7002 3.5391 2.5073 2.1834 1.7854 1.7858 1.1008
H14 5.5660 4.5036 5.1285 4.2302 3.7001 4.1019 3.5391 3.0934 2.7702 2.8457 2.5073 2.1834 1.7854 1.7858 1.1008
H15 4.7383 3.8029 4.7383 3.8030 2.4973 3.6222 2.8341 3.6222 2.4974 2.8341 3.0795 2.1759 1.7858 1.7858 1.1007
C16 4.7150 3.7103 4.7150 3.7103 2.6266 3.1747 2.5854 3.1747 2.6267 2.5855 2.1624 1.5362 1.1008 1.1008 1.1007
Maximum atom distance is 5.5660Å between atoms H1 and H14.
picture of Cyclopentene, 4-methyl-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C4 C10 112.114 C2 C7 C12 103.781
C4 C2 C7 112.114 C4 C10 C12 103.780
C7 C12 C10 105.186 C7 C12 C16 113.184
C10 C12 C16 113.185
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H1 C2 C4 125.752 H1 C2 C7 122.107
C2 C4 H3 125.753 C2 C7 H5 110.601
C2 C7 H6 112.658 H3 C4 C10 122.106
C4 C10 H8 112.652 C4 C10 H9 110.606
H5 C7 H6 107.153 H5 C7 C12 110.781
H6 C7 C12 111.925 C7 C12 H11 108.126
H8 C10 H9 107.153 H8 C10 C12 111.922
H9 C10 C12 110.785 C10 C12 H11 108.127
H11 C12 C16 108.795 C12 C16 H13 110.705
C12 C16 H14 110.705 C12 C16 H15 110.119
H13 C16 H14 108.387 H13 C16 H15 108.426
H14 C16 H15 108.426

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