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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

HSEh1PBE/TZVP


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.3646 -0.6965 0.2033   1.3572 -0.7102 0.2052
C2 -0.0862 0.0807 0.3843   0.0889 0.0840 0.3830
C3 1.0533 -0.6768 -0.3114   -1.0625 -0.6679 -0.2991
C4 2.4388 -0.1486 0.0246   -2.4402 -0.1197 0.0369
C5 -0.2303 1.5256 -0.0541   0.2479 1.5221 -0.0723
O6 -2.3945 -0.2561 -0.2314   2.3903 -0.2868 -0.2389
H7 -1.2979 -1.7656 0.5079   1.2795 -1.7749 0.5221
H8 0.1161 0.0387 1.4669   -0.1091 0.0565 1.4668
H9 0.9963 -1.7357 -0.0340   -1.0166 -1.7242 -0.0101
H10 0.8920 -0.6345 -1.3945   -0.9056 -0.6396 -1.3833
H11 3.2117 -0.7502 -0.4585   -3.2223 -0.7175 -0.4361
H12 2.5723 0.8828 -0.3077   -2.5631 0.9095 -0.3064
H13 2.6198 -0.1781 1.1028   -2.6167 -0.1350 1.1161
H14 -0.3971 1.5856 -1.1322   0.4106 1.5680 -1.1517
H15 -1.0855 1.9974 0.4316   1.1107 1.9893 0.4044
H16 0.6633 2.1024 0.1882   -0.6378 2.1121 0.1674
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 O6 H7 H8 H9 H10 H11 H12 H13 H14 H15 H16
C1 1.5070 2.4721 3.8467 2.5081 1.2016 1.1136 2.0808 2.5903 2.7657 4.6242 4.2725 4.1174 2.8156 2.7180 3.4564
C2 1.5070 1.5350 2.5608 1.5168 2.4126 2.2118 1.1021 2.1555 2.1523 3.5039 2.8618 2.8117 2.1590 2.1621 2.1651
C3 2.4721 1.5350 1.5203 2.5622 3.4743 2.7175 2.1336 1.0961 1.0958 2.1647 2.1771 2.1685 2.8100 3.5040 2.8506
C4 3.8467 2.5608 1.5203 3.1517 4.8413 4.1001 2.7404 2.1455 2.1546 1.0922 1.0918 1.0937 3.5196 4.1463 2.8716
C5 2.5081 1.5168 2.5622 3.1517 2.8089 3.5054 2.1551 3.4844 2.7789 4.1462 2.8866 3.5163 1.0926 1.0908 1.0909
O6 1.2016 2.4126 3.4743 4.8413 2.8089 2.0069 3.0454 3.7048 3.5068 5.6326 5.0963 5.1894 2.8624 2.6892 3.8845
H7 1.1136 2.2118 2.7175 4.1001 3.5054 2.0069 2.4849 2.3575 3.1135 4.7225 4.7600 4.2687 3.8382 3.7698 4.3486
H8 2.0808 1.1021 2.1336 2.7404 2.1551 3.0454 2.4849 2.4851 3.0401 3.7299 3.1455 2.5393 3.0678 2.5204 2.4887
H9 2.5903 2.1555 1.0961 2.1455 3.4844 3.7048 2.3575 2.4851 1.7534 2.4616 3.0685 2.5207 3.7654 4.2996 3.8590
H10 2.7657 2.1523 1.0958 2.1546 2.7789 3.5068 3.1135 3.0401 1.7534 2.5041 2.5113 3.0708 2.5805 3.7646 3.1699
H11 4.6242 3.5039 2.1647 1.0922 4.1462 5.6326 4.7225 3.7299 2.4616 2.5041 1.7602 1.7651 4.3513 5.1777 3.8795
H12 4.2725 2.8618 2.1771 1.0918 2.8866 5.0963 4.7600 3.1455 3.0685 2.5113 1.7602 1.7657 3.1609 3.8947 2.3190
H13 4.1174 2.8117 2.1685 1.0937 3.5163 5.1894 4.2687 2.5393 2.5207 3.0708 1.7651 1.7657 4.1482 4.3489 3.1409
H14 2.8156 2.1590 2.8100 3.5196 1.0926 2.8624 3.8382 3.0678 3.7654 2.5805 4.3513 3.1609 4.1482 1.7576 1.7707
H15 2.7180 2.1621 3.5040 4.1463 1.0908 2.6892 3.7698 2.5204 4.2996 3.7646 5.1777 3.8947 4.3489 1.7576 1.7688
H16 3.4564 2.1651 2.8506 2.8716 1.0909 3.8845 4.3486 2.4887 3.8590 3.1699 3.8795 2.3190 3.1409 1.7707 1.7688
Maximum atom distance is 5.6326Å 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 108.709 C1 C2 C5 112.086
C2 C1 O6 125.559 C2 C3 C4 113.884
C3 C2 C5 114.183
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 104.717 C2 C1 H7 114.300
C2 C3 H9 108.872 C2 C3 H10 108.639
C2 C5 H14 110.606 C2 C5 H15 110.966
C2 C5 H16 111.202 C3 C2 H8 106.862
C3 C4 H11 110.845 C3 C4 H12 111.864
C3 C4 H13 111.057 C4 C3 H9 109.094
C4 C3 H10 109.821 C5 C2 H8 109.733
O6 C1 H7 120.140 H9 C3 H10 106.247
H11 C4 H12 107.407 H11 C4 H13 107.703
H12 C4 H13 107.778 H14 C5 H15 107.217
H14 C5 H16 108.376 H15 C5 H16 108.338

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