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Geometry for C5H8 (Cyclopentene) 1A' CS

1910171554
InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2 INChIKey=LPIQUOYDBNQMRZ-UHFFFAOYSA-N

B3LYP/aug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.2542 -1.2058 0.0000   -0.1077 -1.2009 0.2542
C2 -0.0656 -0.3252 1.2325   1.1985 -0.4340 -0.0656
C3 -0.0656 -0.3252 -1.2325   -1.2566 -0.2138 -0.0656
C4 -0.0656 1.0717 0.6642   0.7573 1.0081 -0.0656
C5 -0.0656 1.0717 -0.6642   -0.5659 1.1267 -0.0656
H6 1.3165 -1.4531 0.0000   -0.1298 -1.4473 1.3165
H7 -0.2965 -2.1455 0.0000   -0.1916 -2.1369 -0.2965
H8 -1.0456 -0.5633 1.6607   1.6037 -0.7094 -1.0456
H9 -1.0456 -0.5633 -1.6607   -1.7044 -0.4128 -1.0456
H10 -0.1010 1.9572 1.2845   1.4542 1.8346 -0.1010
H11 -0.1010 1.9572 -1.2845   -1.1045 2.0641 -0.1010
H12 0.6606 -0.4563 -2.0373   -2.0699 -0.2725 0.6606
H13 0.6606 -0.4563 2.0373   1.9884 -0.6364 0.6606
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13
C1 1.5481 1.5481 2.3938 2.3938 1.0907 1.0892 2.2045 2.2045 3.4322 3.4322 2.2085 2.2085
C2 1.5481 2.4650 1.5080 2.3556 2.1683 2.2104 1.0957 3.0639 2.2832 3.3979 3.3520 1.0919
C3 1.5481 2.4650 2.3556 1.5080 2.1683 2.2104 3.0639 1.0957 3.3979 2.2832 1.0919 3.3520
C4 2.3938 1.5080 2.3556 1.3285 2.9540 3.2931 2.1510 3.0065 1.0817 2.1408 3.1875 2.1789
C5 2.3938 2.3556 1.5080 1.3285 2.9540 3.2931 3.0065 2.1510 2.1408 1.0817 2.1789 3.1875
H6 1.0907 2.1683 2.1683 2.9540 2.9540 1.7553 3.0214 3.0214 3.9102 3.9102 2.3610 2.3610
H7 1.0892 2.2104 2.2104 3.2931 3.2931 1.7553 2.4129 2.4129 4.3035 4.3035 2.8143 2.8143
H8 2.2045 1.0957 3.0639 2.1510 3.0065 3.0214 2.4129 3.3214 2.7179 3.9899 4.0741 1.7506
H9 2.2045 3.0639 1.0957 3.0065 2.1510 3.0214 2.4129 3.3214 3.9899 2.7179 1.7506 4.0741
H10 3.4322 2.2832 3.3979 1.0817 2.1408 3.9102 4.3035 2.7179 3.9899 2.5690 4.1760 2.6404
H11 3.4322 3.3979 2.2832 2.1408 1.0817 3.9102 4.3035 3.9899 2.7179 2.5690 2.6404 4.1760
H12 2.2085 3.3520 1.0919 3.1875 2.1789 2.3610 2.8143 4.0741 1.7506 4.1760 2.6404 4.0746
H13 2.2085 1.0919 3.3520 2.1789 3.1875 2.3610 2.8143 1.7506 4.0741 2.6404 4.1760 4.0746
Maximum atom distance is 4.3035Å between atoms H7 and H10.
picture of Cyclopentene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C4 103.114 C1 C3 C5 103.114
C2 C1 C3 105.521 C2 C4 C5 112.137
C3 C5 C4 112.137
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 111.853 C1 C2 H13 112.403
C1 C3 H9 111.853 C1 C3 H12 112.403
C2 C1 H6 109.278 C2 C1 H7 112.726
C2 C4 H10 122.834 C3 C1 H6 109.278
C3 C1 H7 112.726 C3 C5 H11 122.834
C4 C2 H8 110.403 C4 C2 H13 112.891
C4 C5 H11 124.988 C5 C3 H9 110.403
C5 C3 H12 112.891 C5 C4 H10 124.988
H6 C1 H7 107.265 H8 C2 H13 106.302
H9 C3 H12 106.302

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