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	hartrees
Energy at 0K	-190.464583
Energy at 298.15K	-190.469905
HF Energy	-189.923456
Nuclear repulsion energy	81.551950

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3865	3697	21.51
2	A	3065	2932	71.77
3	A	1547	1480	2.71
4	A	1434	1372	4.93
5	A	1237	1184	0.51
6	A	1086	1039	107.45
7	A	587	562	86.18
8	A	407	389	39.04
9	B	3864	3697	36.80
10	B	3116	2981	67.45
11	B	1488	1423	99.52
12	B	1406	1345	18.12
13	B	1162	1111	199.48
14	B	1037	992	20.72
15	B	408	391	179.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.530
O2	0.000	1.167	-0.247
O3	0.000	-1.167	-0.247
H4	-0.897	-0.076	1.172
H5	0.897	0.076	1.172
H6	-0.802	1.130	-0.785
H7	0.802	-1.130	-0.785

	C1	O2	O3	H4	H5	H6	H7
C1		1.4025	1.4025	1.1062	1.1062	1.9106	1.9106
O2	1.4025		2.3349	2.0899	2.0027	0.9662	2.4924
O3	1.4025	2.3349		2.0027	2.0899	2.4924	0.9662
H4	1.1062	2.0899	2.0027		1.8013	2.3016	2.7982
H5	1.1062	2.0027	2.0899	1.8013		2.7982	2.3016
H6	1.9106	0.9662	2.4924	2.3016	2.7982		2.7715
H7	1.9106	2.4924	0.9662	2.7982	2.3016	2.7715

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	106.062	C1	O3	H7	106.062
O2	C1	O3	112.689	O2	C1	H4	112.289
O2	C1	H5	105.321	O3	C1	H4	105.321
O3	C1	H5	112.289	H4	C1	H5	109.018

All results from a given calculation for CH₂(OH)₂ (methanediol)

using model chemistry: CCD/cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH2(OH)2 (methanediol)

using model chemistry: CCD/cc-pVDZ

States and conformations

All results from a given calculation for CH₂(OH)₂ (methanediol)