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	hartrees
Energy at 0K	-190.533275
Energy at 298.15K	-190.538646
HF Energy	-189.948193
Nuclear repulsion energy	81.717509

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3844	3641	19.26
2	A	3105	2941	64.48
3	A	1573	1490	0.58
4	A	1437	1361	5.69
5	A	1247	1181	3.17
6	A	1081	1024	117.94
7	A	604	572	121.49
8	A	427	404	35.02
9	B	3843	3639	28.97
10	B	3170	3002	54.70
11	B	1501	1422	78.34
12	B	1412	1337	26.97
13	B	1128	1068	246.89
14	B	1044	988	13.25
15	B	440	417	233.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.531
O2	0.000	1.167	-0.246
O3	0.000	-1.167	-0.246
H4	-0.892	-0.080	1.156
H5	0.892	0.080	1.156
H6	-0.798	1.153	-0.782
H7	0.798	-1.153	-0.782

	C1	O2	O3	H4	H5	H6	H7
C1		1.4017	1.4017	1.0926	1.0926	1.9206	1.9206
O2	1.4017		2.3335	2.0777	1.9857	0.9613	2.5107
O3	1.4017	2.3335		1.9857	2.0777	2.5107	0.9613
H4	1.0926	2.0777	1.9857		1.7919	2.2989	2.7863
H5	1.0926	1.9857	2.0777	1.7919		2.7863	2.2989
H6	1.9206	0.9613	2.5107	2.2989	2.7863		2.8037
H7	1.9206	2.5107	0.9613	2.7863	2.2989	2.8037

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	107.265	C1	O3	H7	107.265
O2	C1	O3	112.688	O2	C1	H4	112.225
O2	C1	H5	104.840	O3	C1	H4	104.840
O3	C1	H5	112.225	H4	C1	H5	110.176

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

using model chemistry: MP2=FULL/6-311G*

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: MP2=FULL/6-311G*

States and conformations

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