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	hartrees
Energy at 0K	-190.825962
Energy at 298.15K	-190.821194
HF Energy	-189.900627
Nuclear repulsion energy	82.609447

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4093	3856	38.81
2	A	3245	3057	77.47
3	A	1697	1599	4.57
4	A	1528	1440	5.65
5	A	1319	1243	0.39
6	A	1166	1099	142.08
7	A	618	583	108.65
8	A	438	413	59.56
9	B	4092	3855	65.60
10	B	3293	3103	86.07
11	B	1610	1517	113.37
12	B	1507	1420	54.33
13	B	1233	1162	253.28
14	B	1102	1038	26.26
15	B	411	387	219.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.535
O2	0.000	1.171	-0.247
O3	0.000	-1.171	-0.247
H4	-0.892	-0.080	1.163
H5	0.892	0.080	1.163
H6	-0.806	1.141	-0.791
H7	0.806	-1.141	-0.791

	C1	O2	O3	H4	H5	H6	H7
C1		1.4084	1.4084	1.0940	1.0940	1.9260	1.9260
O2	1.4084		2.3428	2.0861	1.9937	0.9731	2.5084
O3	1.4084	2.3428		1.9937	2.0861	2.5084	0.9731
H4	1.0940	2.0861	1.9937		1.7909	2.3062	2.7977
H5	1.0940	1.9937	2.0861	1.7909		2.7977	2.3062
H6	1.9260	0.9731	2.5084	2.3062	2.7977		2.7937
H7	1.9260	2.5084	0.9731	2.7977	2.3062	2.7937

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	108.795	C1	O3	H7	108.795
O2	C1	O3	112.505	O2	C1	H4	111.765
O2	C1	H5	105.759	O3	C1	H4	105.759
O3	C1	H5	111.765	H4	C1	H5	109.357

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

using model chemistry: G3

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: G3

States and conformations

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