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	hartrees
Energy at 0K	-190.467940
Energy at 298.15K	-190.473257
HF Energy	-189.923212
Nuclear repulsion energy	81.466181

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3842	3640	19.67
2	A	3058	2897	72.66
3	A	1544	1462	2.75
4	A	1429	1354	4.73
5	A	1232	1167	0.78
6	A	1078	1021	106.32
7	A	586	555	85.42
8	A	404	383	37.34
9	B	3842	3639	34.06
10	B	3109	2945	68.13
11	B	1482	1404	98.10
12	B	1401	1327	16.39
13	B	1149	1088	204.39
14	B	1034	979	18.53
15	B	411	389	179.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.531
O2	0.000	1.169	-0.248
O3	0.000	-1.169	-0.248
H4	-0.898	-0.078	1.172
H5	0.898	0.078	1.172
H6	-0.804	1.130	-0.785
H7	0.804	-1.130	-0.785

	C1	O2	O3	H4	H5	H6	H7
C1		1.4043	1.4043	1.1064	1.1064	1.9112	1.9112
O2	1.4043		2.3379	2.0921	2.0033	0.9673	2.4938
O3	1.4043	2.3379		2.0033	2.0921	2.4938	0.9673
H4	1.1064	2.0921	2.0033		1.8026	2.3016	2.7986
H5	1.1064	2.0033	2.0921	1.8026		2.7986	2.3016
H6	1.9112	0.9673	2.4938	2.3016	2.7986		2.7731
H7	1.9112	2.4938	0.9673	2.7986	2.3016	2.7731

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	105.910	C1	O3	H7	105.910
O2	C1	O3	112.690	O2	C1	H4	112.328
O2	C1	H5	105.243	O3	C1	H4	105.243
O3	C1	H5	112.328	H4	C1	H5	109.105

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

using model chemistry: CCSD/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: CCSD/cc-pVDZ

States and conformations

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