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	hartrees
Energy at 0K	-190.410987
Energy at 298.15K	-190.416301
HF Energy	-189.898039
Nuclear repulsion energy	81.269116

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3751	3572	16.92
2	A	3076	2929	59.25
3	A	1585	1510	1.67
4	A	1434	1365	5.44
5	A	1238	1179	1.29
6	A	1073	1022	112.13
7	A	585	557	105.35
8	A	415	395	38.25
9	B	3750	3572	27.97
10	B	3129	2980	59.61
11	B	1490	1419	95.02
12	B	1413	1346	20.95
13	B	1134	1080	213.41
14	B	1038	989	22.20
15	B	417	397	212.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.536
O2	0.000	1.171	-0.248
O3	0.000	-1.171	-0.248
H4	-0.894	-0.078	1.167
H5	0.894	0.078	1.167
H6	-0.807	1.144	-0.791
H7	0.807	-1.144	-0.791

	C1	O2	O3	H4	H5	H6	H7
C1		1.4093	1.4093	1.0972	1.0972	1.9293	1.9293
O2	1.4093		2.3420	2.0888	1.9992	0.9730	2.5113
O3	1.4093	2.3420		1.9992	2.0888	2.5113	0.9730
H4	1.0972	2.0888	1.9992		1.7949	2.3105	2.8046
H5	1.0972	1.9992	2.0888	1.7949		2.8046	2.3105
H6	1.9293	0.9730	2.5113	2.3105	2.8046		2.8001
H7	1.9293	2.5113	0.9730	2.8046	2.3105	2.8001

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	106.733	C1	O3	H7	106.733
O2	C1	O3	112.385	O2	C1	H4	112.291
O2	C1	H5	105.125	O3	C1	H4	105.125
O3	C1	H5	112.291	H4	C1	H5	109.755

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

using model chemistry: QCISD/6-31G*

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: QCISD/6-31G*

States and conformations

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