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Geometry for C5H10O (2-methylbutyraldehyde) 1A C1

1910171554
InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m1/s1 INChIKey=BYGQBDHUGHBGMD-RXMQYKEDSA-N

MP2/6-311G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.3800 -0.6870 0.2282   1.3736 -0.6993 0.2290
C2 -0.0841 0.0724 0.4221   0.0871 0.0764 0.4208
C3 1.0405 -0.7047 -0.2854   -1.0496 -0.6966 -0.2718
C4 2.4348 -0.1382 -0.0152   -2.4362 -0.1118 -0.0010
C5 -0.2111 1.5192 -0.0403   0.2273 1.5162 -0.0590
O6 -2.3806 -0.2339 -0.2875   2.3764 -0.2632 -0.2971
H7 -1.3539 -1.7409 0.5862   1.3380 -1.7487 0.5994
H8 0.1262 0.0387 1.5035   -0.1178 0.0575 1.5036
H9 1.0080 -1.7523 0.0403   -1.0267 -1.7406 0.0659
H10 0.8404 -0.7025 -1.3649   -0.8552 -0.7091 -1.3523
H11 3.2032 -0.7670 -0.4740   -3.2138 -0.7374 -0.4485
H12 2.5428 0.8703 -0.4220   -2.5354 0.8931 -0.4189
H13 2.6293 -0.0942 1.0614   -2.6245 -0.0532 1.0761
H14 -0.3566 1.5564 -1.1240   0.3675 1.5393 -1.1439
H15 -1.0772 1.9968 0.4237   1.1010 1.9897 0.3949
H16 0.6816 2.0954 0.2138   -0.6576 2.1050 0.1930
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 O6 H7 H8 H9 H10 H11 H12 H13 H14 H15 H16
C1 1.5145 2.4744 3.8617 2.5111 1.2135 1.1134 2.1028 2.6215 2.7328 4.6373 4.2703 4.1376 2.8122 2.7079 3.4629
C2 1.5145 1.5393 2.5652 1.5242 2.4232 2.2198 1.1021 2.1606 2.1561 3.5091 2.8722 2.7927 2.1603 2.1655 2.1730
C3 2.4744 1.5393 1.5291 2.5637 3.4534 2.7507 2.1421 1.0976 1.0979 2.1718 2.1809 2.1705 2.7871 3.5051 2.8668
C4 3.8617 2.5652 1.5291 3.1222 4.8241 4.1575 2.7690 2.1551 2.1638 1.0938 1.0928 1.0950 3.4486 4.1334 2.8487
C5 2.5111 1.5242 2.5637 3.1222 2.8003 3.5109 2.1654 3.4922 2.7922 4.1318 2.8549 3.4474 1.0941 1.0925 1.0924
O6 1.2135 2.4232 3.4534 4.8241 2.8003 2.0220 3.0929 3.7277 3.4286 5.6123 5.0475 5.1903 2.8288 2.6797 3.8800
H7 1.1134 2.2198 2.7507 4.1575 3.5109 2.0220 2.4898 2.4241 3.1144 4.7791 4.7978 4.3363 3.8460 3.7514 4.3588
H8 2.1028 1.1021 2.1421 2.7690 2.1654 3.0929 2.4898 2.4751 3.0475 3.7453 3.1998 2.5453 3.0725 2.5393 2.4903
H9 2.6215 2.1606 1.0976 2.1551 3.4922 3.7277 2.4241 2.4751 1.7620 2.4606 3.0737 2.5339 3.7637 4.3071 3.8654
H10 2.7328 2.1561 1.0979 2.1638 2.7922 3.4286 3.1144 3.0475 1.7620 2.5260 2.5022 3.0753 2.5678 3.7633 3.2165
H11 4.6373 3.5091 2.1718 1.0938 4.1318 5.6123 4.7791 3.7453 2.4606 2.5260 1.7663 1.7719 4.3004 5.1736 3.8762
H12 4.2703 2.8722 2.1809 1.0928 2.8549 5.0475 4.7978 3.1998 3.0737 2.5022 1.7663 1.7715 3.0610 3.8844 2.3171
H13 4.1376 2.7927 2.1705 1.0950 3.4474 5.1903 4.3363 2.5453 2.5339 3.0753 1.7719 1.7715 4.0517 4.3032 3.0507
H14 2.8122 2.1603 2.7871 3.4486 1.0941 2.8288 3.8460 3.0725 3.7637 2.5678 4.3004 3.0610 4.0517 1.7632 1.7771
H15 2.7079 2.1655 3.5051 4.1334 1.0925 2.6797 3.7514 2.5393 4.3071 3.7633 5.1736 3.8844 4.3032 1.7632 1.7740
H16 3.4629 2.1730 2.8668 2.8487 1.0924 3.8800 4.3588 2.4903 3.8654 3.2165 3.8762 2.3171 3.0507 1.7771 1.7740
Maximum atom distance is 5.6123Å between atoms O6 and H11.
picture of 2-methylbutyraldehyde
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 108.246 C1 C2 C5 111.458
C2 C1 O6 124.946 C2 C3 C4 113.448
C3 C2 C5 113.619
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 105.878 C2 C1 H7 114.421
C2 C3 H9 108.895 C2 C3 H10 108.531
C2 C5 H14 110.116 C2 C5 H15 110.618
C2 C5 H16 111.224 C3 C2 H8 107.226
C3 C4 H11 110.702 C3 C4 H12 111.485
C3 C4 H13 110.526 C4 C3 H9 109.161
C4 C3 H10 109.829 C5 C2 H8 110.039
O6 C1 H7 120.623 H9 C3 H10 106.757
H11 C4 H12 107.761 H11 C4 H13 108.100
H12 C4 H13 108.141 H14 C5 H15 107.480
H14 C5 H16 108.732 H15 C5 H16 108.569

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