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Geometry for C4H10O (Methyl propyl ether) 1A' C2

1910171554
InChI=1S/C4H10O/c1-3-4-5-2/h3-4H2,1-2H3 INChIKey=VNKYTQGIUYNRMY-UHFFFAOYSA-N

MP2/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -2.2961 0.6736 0.0000   -2.3797 0.2508 0.0000
O2 -1.2681 -0.2862 0.0000   -1.1962 -0.5090 0.0000
C3 0.0000 0.3275 0.0000   -0.0587 0.3222 0.0000
C4 1.0572 -0.7584 0.0000   1.1761 -0.5564 0.0000
C5 2.4662 -0.1730 0.0000   2.4572 0.2722 0.0000
H6 -3.2442 0.1373 0.0000   -3.2162 -0.4469 0.0000
H7 -2.2499 1.3162 0.8886   -2.4496 0.8912 0.8886
H8 -2.2499 1.3162 -0.8886   -2.4496 0.8912 -0.8886
H9 0.1142 0.9725 0.8853   -0.0621 0.9772 0.8853
H10 0.1142 0.9725 -0.8853   -0.0621 0.9772 -0.8853
H11 0.9037 -1.3898 -0.8781   1.1384 -1.2052 -0.8781
H12 0.9037 -1.3898 0.8781   1.1384 -1.2052 0.8781
H13 2.6343 0.4484 0.8819   2.5111 0.9137 0.8819
H14 2.6343 0.4484 -0.8819   2.5111 0.9137 -0.8819
H15 3.2203 -0.9605 0.0000   3.3404 -0.3672 0.0000
Atom - Atom Distances (Å)
  C1 O2 C3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13 H14 H15
C1 1.4065 2.3221 3.6463 4.8370 1.0893 1.0976 1.0976 2.5851 2.5851 3.9074 3.9074 5.0137 5.0137 5.7534
O2 1.4065 1.4088 2.3727 3.7360 2.0210 2.0788 2.0788 2.0685 2.0685 2.5895 2.5895 4.0676 4.0676 4.5388
C3 2.3221 1.4088 1.5155 2.5165 3.2498 2.6133 2.6133 1.1013 1.1013 2.1300 2.1300 2.7806 2.7806 3.4683
C4 3.6463 2.3727 1.5155 1.5258 4.3937 4.0039 4.0039 2.1608 2.1608 1.0924 1.0924 2.1729 2.1729 2.1725
C5 4.8370 3.7360 2.5165 1.5258 5.7189 5.0249 5.0249 2.7619 2.7619 2.1664 2.1664 1.0919 1.0919 1.0903
H6 1.0893 2.0210 3.2498 4.3937 5.7189 1.7799 1.7799 3.5722 3.5722 4.5065 4.5065 5.9524 5.9524 6.5571
H7 1.0976 2.0788 2.6133 4.0039 5.0249 1.7799 1.7772 2.3890 2.9756 4.5155 4.1555 4.9607 5.2672 5.9914
H8 1.0976 2.0788 2.6133 4.0039 5.0249 1.7799 1.7772 2.9756 2.3890 4.1555 4.5155 5.2672 4.9607 5.9914
H9 2.5851 2.0685 1.1013 2.1608 2.7619 3.5722 2.3890 2.9756 1.7706 3.0518 2.4908 2.5740 3.1222 3.7641
H10 2.5851 2.0685 1.1013 2.1608 2.7619 3.5722 2.9756 2.3890 1.7706 2.4908 3.0518 3.1222 2.5740 3.7641
H11 3.9074 2.5895 2.1300 1.0924 2.1664 4.5065 4.5155 4.1555 3.0518 2.4908 1.7562 3.0776 2.5247 2.5144
H12 3.9074 2.5895 2.1300 1.0924 2.1664 4.5065 4.1555 4.5155 2.4908 3.0518 1.7562 2.5247 3.0776 2.5144
H13 5.0137 4.0676 2.7806 2.1729 1.0919 5.9524 4.9607 5.2672 2.5740 3.1222 3.0776 2.5247 1.7638 1.7625
H14 5.0137 4.0676 2.7806 2.1729 1.0919 5.9524 5.2672 4.9607 3.1222 2.5740 2.5247 3.0776 1.7638 1.7625
H15 5.7534 4.5388 3.4683 2.1725 1.0903 6.5571 5.9914 5.9914 3.7641 3.7641 2.5144 2.5144 1.7625 1.7625
Maximum atom distance is 6.5571Å between atoms H6 and H15.
picture of Methyl propyl ether
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 C3 111.140 O2 C3 C4 108.408
C3 C4 C5 111.672
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C1 H6 107.472 O2 C1 H7 111.642
O2 C1 H8 111.642 O2 C3 H9 110.395
O2 C3 H10 110.395 C3 C4 H11 108.429
C3 C4 H12 108.429 C4 C3 H9 110.323
C4 C3 H10 110.323 C4 C5 H13 111.131
C4 C5 H14 111.131 C4 C5 H15 111.197
C5 C4 H11 110.582 C5 C4 H12 110.582
H6 C1 H7 108.957 H6 C1 H8 108.957
H7 C1 H8 108.113 H9 C3 H10 107.001
H11 C4 H12 106.993 H13 C5 H14 107.746
H13 C5 H15 107.735 H14 C5 H15 107.735

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