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Geometry for C4H10O (Ethanol, 1,1-dimethyl-) 1A C1

1910171554
InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3 INChIKey=DKGAVHZHDRPRBM-UHFFFAOYSA-N

B1B95/3-21G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0015 0.0000 0.0050   0.0007 -0.0000 0.0052
H2 1.7605 1.2579 -0.1501   -1.7095 1.2579 -0.4469
H3 0.2188 2.1423 -0.0717   -0.2034 2.1423 -0.1078
H4 0.7047 1.3157 -1.5753   -0.4270 1.3157 -1.6721
C5 0.7160 1.2605 -0.4832   -0.6235 1.2604 -0.5977
H6 -1.9587 0.8864 -0.0287   1.9351 0.8864 0.3043
H7 -1.9586 -0.8866 -0.0287   1.9351 -0.8866 0.3043
H8 -1.5394 -0.0001 -1.5211   1.7754 -0.0000 -1.2376
C9 -1.4625 -0.0001 -0.4310   1.5145 -0.0000 -0.1764
H10 0.2190 -2.1423 -0.0717   -0.2036 -2.1423 -0.1078
H11 1.7606 -1.2577 -0.1501   -1.7096 -1.2577 -0.4469
H12 0.7048 -1.3156 -1.5753   -0.4270 -1.3156 -1.6722
C13 0.7161 -1.2604 -0.4832   -0.6236 -1.2604 -0.5978
H14 0.8633 0.0000 1.7962   -1.1558 0.0000 1.6235
O15 -0.0729 -0.0000 1.4663   -0.1772 -0.0000 1.4574
Atom - Atom Distances (Å)
  C1 H2 H3 H4 C5 H6 H7 H8 C9 H10 H11 H12 C13 H14 O15
C1 2.1705 2.1550 2.1742 1.5303 2.1488 2.1488 2.1666 1.5246 2.1550 2.1705 2.1742 1.5303 1.9891 1.4631
H2 2.1705 1.7791 1.7746 1.0964 3.7397 4.2948 3.7884 3.4712 3.7341 2.5156 3.1255 2.7465 2.4850 2.7489
H3 2.1550 1.7791 1.7834 1.0928 2.5141 3.7306 3.1276 2.7469 4.2846 3.7341 3.8019 3.4634 2.9144 2.6533
H4 2.1742 1.7746 1.7834 1.0936 3.1097 3.7862 2.6020 2.7816 3.8019 3.1255 2.6313 2.7981 3.6226 3.4041
C5 1.5303 1.0964 1.0928 1.0936 2.7387 3.4597 2.7844 2.5174 3.4634 2.7465 2.7981 2.5208 2.6088 2.4519
H6 2.1488 3.7397 2.5141 3.1097 2.7387 1.7730 1.7857 1.0927 3.7306 4.2948 3.7862 3.4597 3.4756 2.5646
H7 2.1488 4.2948 3.7306 3.7862 3.4597 1.7730 1.7857 1.0927 2.5141 3.7397 3.1097 2.7387 3.4756 2.5646
H8 2.1666 3.7884 3.1276 2.6020 2.7844 1.7857 1.7857 1.0928 3.1276 3.7883 2.6020 2.7844 4.0960 3.3280
C9 1.5246 3.4712 2.7469 2.7816 2.5174 1.0927 1.0927 1.0928 2.7469 3.4712 2.7816 2.5174 3.2203 2.3518
H10 2.1550 3.7341 4.2846 3.8019 3.4634 3.7306 2.5141 3.1276 2.7469 1.7791 1.7834 1.0928 2.9144 2.6533
H11 2.1705 2.5156 3.7341 3.1255 2.7465 4.2948 3.7397 3.7883 3.4712 1.7791 1.7746 1.0964 2.4850 2.7489
H12 2.1742 3.1255 3.8019 2.6313 2.7981 3.7862 3.1097 2.6020 2.7816 1.7834 1.7746 1.0936 3.6226 3.4040
C13 1.5303 2.7465 3.4634 2.7981 2.5208 3.4597 2.7387 2.7844 2.5174 1.0928 1.0964 1.0936 2.6088 2.4519
H14 1.9891 2.4850 2.9144 3.6226 2.6088 3.4756 3.4756 4.0960 3.2203 2.9144 2.4850 3.6226 2.6088 0.9926
O15 1.4631 2.7489 2.6533 3.4041 2.4519 2.5646 2.5646 3.3280 2.3518 2.6533 2.7489 3.4040 2.4519 0.9926
Maximum atom distance is 4.2948Å between atoms H6 and H11.
picture of Ethanol, 1,1-dimethyl-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C5 C1 C9 110.982 C5 C1 C13 110.899
C5 C1 O15 109.968 C9 C1 C13 110.982
C9 C1 O15 103.824 C13 C1 O15 109.968
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C5 H2 110.356 C1 C5 H3 109.342
C1 C5 H4 110.816 C1 C9 H6 109.258
C1 C9 H7 109.257 C1 C9 H8 110.655
C1 C13 H10 109.343 C1 C13 H11 110.355
C1 C13 H12 110.816 C1 O15 H14 106.615
H2 C5 H3 108.721 H2 C5 H4 108.260
H3 C5 H4 109.305 H6 C9 H7 108.448
H6 C9 H8 109.593 H7 C9 H8 109.593
H10 C13 H11 108.721 H10 C13 H12 109.305
H11 C13 H12 108.260

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