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Geometry for C5H8 (1,3-Pentadiene, (Z)-) 1A' CS

1910171554
InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4- INChIKey=PMJHHCWVYXUKFD-PLNGDYQASA-N

B1B95/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 2.3794 0.1356 0.0000   2.3770 -0.1735 0.0000
C2 1.0914 -0.2168 0.0000   1.0542 -0.3562 0.0000
C3 0.0000 0.7457 0.0000   0.0965 0.7394 0.0000
C4 -1.3087 0.4634 0.0000   -1.2378 0.6289 0.0000
C5 -1.9350 -0.9005 0.0000   -2.0353 -0.6425 0.0000
H6 2.6793 1.1779 0.0000   2.8092 0.8212 0.0000
H7 3.1737 -0.5994 0.0000   3.0695 -1.0051 0.0000
H8 0.8315 -1.2698 0.0000   0.6602 -1.3667 0.0000
H9 0.3030 1.7891 0.0000   0.5320 1.7349 0.0000
H10 -2.0103 1.2924 0.0000   -1.8261 1.5417 0.0000
H11 -1.1936 -1.6995 0.0000   -1.4035 -1.5307 0.0000
H12 -2.5732 -1.0273 0.8813   -2.6845 -0.6857 0.8813
H13 -2.5732 -1.0273 -0.8813   -2.6845 -0.6857 -0.8813
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13
C1 1.3353 2.4564 3.7027 4.4371 1.0846 1.0822 2.0907 2.6544 4.5396 4.0167 5.1630 5.1630
C2 1.3353 1.4552 2.4947 3.1027 2.1134 2.1172 1.0845 2.1553 3.4494 2.7239 3.8552 3.8552
C3 2.4564 1.4552 1.3388 2.5405 2.7140 3.4470 2.1802 1.0866 2.0833 2.7209 3.2467 3.2467
C4 3.7027 2.4947 1.3388 1.5008 4.0516 4.6068 2.7540 2.0870 1.0860 2.1660 2.1442 2.1442
C5 4.4371 3.1027 2.5405 1.5008 5.0608 5.1176 2.7910 3.4990 2.1942 1.0900 1.0955 1.0955
H6 1.0846 2.1134 2.7140 4.0516 5.0608 1.8448 3.0668 2.4536 4.6910 4.8248 5.7644 5.7644
H7 1.0822 2.1172 3.4470 4.6068 5.1176 1.8448 2.4363 3.7344 5.5184 4.5037 5.8298 5.8298
H8 2.0907 1.0845 2.1802 2.7540 2.7910 3.0668 2.4363 3.1042 3.8263 2.0702 3.5252 3.5252
H9 2.6544 2.1553 1.0866 2.0870 3.4990 2.4536 3.7344 3.1042 2.3660 3.7961 4.1209 4.1209
H10 4.5396 3.4494 2.0833 1.0860 2.1942 4.6910 5.5184 3.8263 2.3660 3.1014 2.5445 2.5445
H11 4.0167 2.7239 2.7209 2.1660 1.0900 4.8248 4.5037 2.0702 3.7961 3.1014 1.7697 1.7697
H12 5.1630 3.8552 3.2467 2.1442 1.0955 5.7644 5.8298 3.5252 4.1209 2.5445 1.7697 1.7627
H13 5.1630 3.8552 3.2467 2.1442 1.0955 5.7644 5.8298 3.5252 4.1209 2.5445 1.7697 1.7627
Maximum atom distance is 5.8298Å between atoms H7 and H12.
picture of 1,3-Pentadiene, (Z)-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 123.292 C2 C3 C4 126.423
C3 C4 C5 126.833
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 119.168 C2 C1 H6 121.353
C2 C1 H7 121.922 C2 C3 H9 115.213
C3 C2 H8 117.540 C3 C4 H10 118.068
C4 C3 H9 118.364 C4 C5 H11 112.477
C4 C5 H12 110.380 C4 C5 H13 110.380
C5 C4 H10 115.099 H6 C1 H7 116.725
H11 C5 H12 108.144 H11 C5 H13 108.144
H12 C5 H13 107.129

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