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Geometry for CH2(OH)2 (methanediol) 1A C2

1910171554
InChI=1S/CH4O2/c2-1-3/h2-3H,1H2 INChIKey=CKFGINPQOCXMAZ-UHFFFAOYSA-N

MP2/CEP-121G


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.5623   0.0000 0.5623 0.0000
O2 0.0000 1.2179 -0.2566   1.2169 -0.2566 0.0488
O3 0.0000 -1.2179 -0.2566   -1.2169 -0.2566 -0.0488
H4 -0.9090 -0.0887 1.1688   -0.0522 1.1688 -0.9118
H5 0.9090 0.0887 1.1688   0.0522 1.1688 0.9118
H6 -0.8181 1.2597 -0.8025   1.2915 -0.8025 -0.7669
H7 0.8181 -1.2597 -0.8025   -1.2915 -0.8025 0.7669
Atom - Atom Distances (Å)
  C1 O2 O3 H4 H5 H6 H7
C1 1.4676 1.4676 1.0964 1.0964 2.0295 2.0295
O2 1.4676 2.4358 2.1367 2.0330 0.9844 2.6657
O3 1.4676 2.4358 2.0330 2.1367 2.6657 0.9844
H4 1.0964 2.1367 2.0330 1.8266 2.3901 2.8706
H5 1.0964 2.0330 2.1367 1.8266 2.8706 2.3901
H6 2.0295 0.9844 2.6657 2.3901 2.8706 3.0041
H7 2.0295 2.6657 0.9844 2.8706 2.3901 3.0041
Maximum atom distance is 3.0041Å between atoms H6 and H7.
picture of methanediol
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C1 O3 112.166
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 H6 110.162 C1 O3 H7 110.162
O2 C1 H4 112.077 O2 C1 H5 103.978
O3 C1 H4 103.978 O3 C1 H5 112.077
H4 C1 H5 112.821

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