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Geometry for C3H8O2 (Methane, dimethoxy-) 1A1 C2V

1910171554
InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3 INChIKey=NKDDWNXOKDWJAK-UHFFFAOYSA-N

BLYP/STO-3G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3324   0.3324 0.0000 0.0000
H2 -0.9179 0.0000 1.0060   1.0060 -0.9179 0.0000
H3 0.9179 0.0000 1.0060   1.0060 0.9179 0.0000
O4 0.0000 1.1578 -0.6033   -0.6033 0.0000 1.1578
O5 0.0000 -1.1578 -0.6033   -0.6033 0.0000 -1.1578
C6 0.0000 2.3820 0.2462   0.2462 0.0000 2.3820
C7 0.0000 -2.3820 0.2462   0.2462 0.0000 -2.3820
H8 0.0000 3.2451 -0.4580   -0.4580 0.0000 3.2451
H9 0.0000 -3.2451 -0.4580   -0.4580 0.0000 -3.2451
H10 -0.9075 2.4513 0.9019   0.9019 -0.9075 2.4513
H11 0.9075 2.4513 0.9019   0.9019 0.9075 2.4513
H12 0.9075 -2.4513 0.9019   0.9019 0.9075 -2.4513
H13 -0.9075 -2.4513 0.9019   0.9019 -0.9075 -2.4513
Atom - Atom Distances (Å)
  C1 H2 H3 O4 O5 C6 C7 H8 H9 H10 H11 H12 H13
C1 1.1385 1.1385 1.4886 1.4886 2.3836 2.3836 3.3400 3.3400 2.6752 2.6752 2.6752 2.6752
H2 1.1385 1.8358 2.1847 2.1847 2.6634 2.6634 3.6765 3.6765 2.4535 3.0581 3.0581 2.4535
H3 1.1385 1.8358 2.1847 2.1847 2.6634 2.6634 3.6765 3.6765 3.0581 2.4535 2.4535 3.0581
O4 1.4886 2.1847 2.1847 2.3156 1.4901 3.6403 2.0924 4.4053 2.1823 2.1823 4.0143 4.0143
O5 1.4886 2.1847 2.1847 2.3156 3.6403 1.4901 4.4053 2.0924 4.0143 4.0143 2.1823 2.1823
C6 2.3836 2.6634 2.6634 1.4901 3.6403 4.7640 1.1139 5.6710 1.1217 1.1217 4.9613 4.9613
C7 2.3836 2.6634 2.6634 3.6403 1.4901 4.7640 5.6710 1.1139 4.9613 4.9613 1.1217 1.1217
H8 3.3400 3.6765 3.6765 2.0924 4.4053 1.1139 5.6710 6.4902 1.8174 1.8174 5.9264 5.9264
H9 3.3400 3.6765 3.6765 4.4053 2.0924 5.6710 1.1139 6.4902 5.9264 5.9264 1.8174 1.8174
H10 2.6752 2.4535 3.0581 2.1823 4.0143 1.1217 4.9613 1.8174 5.9264 1.8150 5.2278 4.9026
H11 2.6752 3.0581 2.4535 2.1823 4.0143 1.1217 4.9613 1.8174 5.9264 1.8150 4.9026 5.2278
H12 2.6752 3.0581 2.4535 4.0143 2.1823 4.9613 1.1217 5.9264 1.8174 5.2278 4.9026 1.8150
H13 2.6752 2.4535 3.0581 4.0143 2.1823 4.9613 1.1217 5.9264 1.8174 4.9026 5.2278 1.8150
Maximum atom distance is 6.4902Å between atoms H8 and H9.
picture of Methane, dimethoxy-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O4 C6 106.298 C1 O5 C7 106.298
O4 C1 O5 102.109
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 H3 107.457 H2 C1 O4 111.831
H2 C1 O5 111.831 H3 C1 O4 111.831
H3 C1 O5 111.831 O4 C6 H8 106.032
O4 C6 H10 112.579 O4 C6 H11 112.579
O5 C7 H9 106.032 O5 C7 H12 112.579
O5 C7 H13 112.579 H8 C6 H10 108.764
H8 C6 H11 108.764 H9 C7 H12 108.764
H9 C7 H13 108.764 H10 C6 H11 108.002
H12 C7 H13 108.002

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