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Geometry for C5H10O (2H-Pyran, tetrahydro-) 1A' C1

1910171554
InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2 INChIKey=DHXVGJBLRPWPCS-UHFFFAOYSA-N

wB97X-D/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 -0.6672 -1.2573 0.0000   -1.3980 0.0000 -0.2677
C2 0.6268 1.3248 0.0000   1.4506 0.0000 0.2093
H3 1.6998 1.0854 0.0000   1.5376 0.0000 1.3052
H4 0.5455 2.4174 0.0000   2.4709 0.0000 -0.1899
C5 -0.0201 0.7285 1.2545   0.6904 1.2545 -0.2335
C6 -0.0201 0.7285 -1.2545   0.6904 -1.2545 -0.2335
C7 -0.0201 -0.7961 -1.1726   -0.7668 -1.1726 0.2151
C8 -0.0201 -0.7961 1.1726   -0.7668 1.1726 0.2151
H9 0.5055 1.0520 2.1610   1.1542 2.1610 0.1735
H10 0.5055 1.0520 -2.1610   1.1542 -2.1610 0.1735
H11 -1.0581 1.0739 1.3350   0.7150 1.3350 -1.3273
H12 -1.0581 1.0739 -1.3350   0.7150 -1.3350 -1.3273
H13 1.0176 -1.1724 -1.1923   -0.8211 -1.1923 1.3176
H14 1.0176 -1.1724 1.1923   -0.8211 1.1923 1.3176
H15 -0.5586 -1.2442 -2.0121   -1.3535 -2.0121 -0.1678
H16 -0.5586 -1.2442 2.0121   -1.3535 2.0121 -0.1678
Atom - Atom Distances (Å)
  O1 C2 H3 H4 C5 C6 C7 C8 H9 H10 H11 H12 H13 H14 H15 H16
O1 2.8882 3.3304 3.8697 2.4365 2.4365 1.4165 1.4165 3.3732 3.3732 2.7147 2.7147 2.0658 2.0658 2.0151 2.0151
C2 2.8882 1.0994 1.0957 1.5323 1.5323 2.5083 2.5083 2.1815 2.1815 2.1643 2.1643 2.7946 2.7946 3.4718 3.4718
H3 3.3304 1.0994 1.7625 2.1585 2.1585 2.8060 2.8060 2.4693 2.4693 3.0641 3.0641 2.6429 2.6429 3.8179 3.8179
H4 3.8697 1.0957 1.7625 2.1785 2.1785 3.4672 3.4672 2.5565 2.5565 2.4817 2.4817 3.8120 3.8120 4.3214 4.3214
C5 2.4365 1.5323 2.1585 2.1785 2.5091 2.8663 1.5269 1.0966 3.4708 1.0970 2.8111 3.2676 2.1666 3.8539 2.1807
C6 2.4365 1.5323 2.1585 2.1785 2.5091 1.5269 2.8663 3.4708 1.0966 2.8111 1.0970 2.1666 3.2676 2.1807 3.8539
C7 1.4165 2.5083 2.8060 3.4672 2.8663 1.5269 2.3452 3.8477 2.1607 3.2958 2.1450 1.1040 2.6098 1.0934 3.2609
C8 1.4165 2.5083 2.8060 3.4672 1.5269 2.8663 2.3452 2.1607 3.8477 2.1450 3.2958 2.6098 1.1040 3.2609 1.0934
H9 3.3732 2.1815 2.4693 2.5565 1.0966 3.4708 3.8477 2.1607 4.3219 1.7685 3.8297 4.0564 2.4797 4.8805 2.5352
H10 3.3732 2.1815 2.4693 2.5565 3.4708 1.0966 2.1607 3.8477 4.3219 3.8297 1.7685 2.4797 4.0564 2.5352 4.8805
H11 2.7147 2.1643 3.0641 2.4817 1.0970 2.8111 3.2958 2.1450 1.7685 3.8297 2.6699 3.9675 3.0618 4.1019 2.4660
H12 2.7147 2.1643 3.0641 2.4817 2.8111 1.0970 2.1450 3.2958 3.8297 1.7685 2.6699 3.0618 3.9675 2.4660 4.1019
H13 2.0658 2.7946 2.6429 3.8120 3.2676 2.1666 1.1040 2.6098 4.0564 2.4797 3.9675 3.0618 2.3845 1.7781 3.5718
H14 2.0658 2.7946 2.6429 3.8120 2.1666 3.2676 2.6098 1.1040 2.4797 4.0564 3.0618 3.9675 2.3845 3.5718 1.7781
H15 2.0151 3.4718 3.8179 4.3214 3.8539 2.1807 1.0934 3.2609 4.8805 2.5352 4.1019 2.4660 1.7781 3.5718 4.0242
H16 2.0151 3.4718 3.8179 4.3214 2.1807 3.8539 3.2609 1.0934 2.5352 4.8805 2.4660 4.1019 3.5718 1.7781 4.0242
Maximum atom distance is 4.8805Å between atoms H9 and H15.
picture of 2H-Pyran, tetrahydro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C7 C6 111.687 O1 C8 C5 111.687
C2 C5 C8 110.159 C2 C6 C7 110.159
C5 C2 C6 109.920 C7 O1 C8 111.749
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C7 H13 109.463 O1 C7 H15 106.089
O1 C8 H14 109.463 O1 C8 H16 106.089
C2 C5 H9 111.079 C2 C5 H11 109.697
C2 C6 H10 111.079 C2 C6 H12 109.697
H3 C2 H4 106.828 H3 C2 C5 109.107
H3 C2 C6 109.107 H4 C2 C5 110.899
H4 C2 C6 110.899 C5 C8 H14 109.839
C5 C8 H16 111.592 C6 C7 H13 109.839
C6 C7 H15 111.592 C7 C6 H10 109.814
C7 C6 H12 108.559 C8 C5 H9 109.814
C8 C5 H11 108.559 H9 C5 H11 107.460
H10 C6 H12 107.460 H13 C7 H15 108.038
H14 C8 H16 108.038

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