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	hartrees
Energy at 0K	-189.875136
Energy at 298.15K	-189.880378
HF Energy	-189.875136
Nuclear repulsion energy	79.633108

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3463	3342	0.02
2	A	3039	2932	65.55
3	A	1578	1522	1.10
4	A	1417	1367	2.77
5	A	1212	1170	2.73
6	A	967	933	103.03
7	A	567	547	128.55
8	A	390	376	19.88
9	B	3465	3343	1.08
10	B	3081	2973	63.49
11	B	1449	1398	46.77
12	B	1381	1333	21.06
13	B	1021	985	175.66
14	B	1006	971	34.37
15	B	411	397	224.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.544
O2	0.000	1.203	-0.249
O3	0.000	-1.203	-0.249
H4	-0.889	-0.101	1.175
H5	0.889	0.101	1.175
H6	-0.819	1.180	-0.816
H7	0.819	-1.180	-0.816

	C1	O2	O3	H4	H5	H6	H7
C1		1.4404	1.4404	1.0952	1.0952	1.9780	1.9780
O2	1.4404		2.4052	2.1253	2.0082	0.9967	2.5822
O3	1.4404	2.4052		2.0082	2.1253	2.5822	0.9967
H4	1.0952	2.1253	2.0082		1.7899	2.3686	2.8370
H5	1.0952	2.0082	2.1253	1.7899		2.8370	2.3686
H6	1.9780	0.9967	2.5822	2.3686	2.8370		2.8721
H7	1.9780	2.5822	0.9967	2.8370	2.3686	2.8721

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	107.109	C1	O3	H7	107.109
O2	C1	O3	113.219	O2	C1	H4	113.198
O2	C1	H5	103.917	O3	C1	H4	103.917
O3	C1	H5	113.198	H4	C1	H5	109.607

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

using model chemistry: B3LYP/3-21G

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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Number	Element	Mulliken
1	C	0.060
2	O	-0.559
3	O	-0.559
4	H	0.193
5	H	0.193
6	H	0.336
7	H	0.336

	x	y	z	Total
	0.000	0.000	-0.323	0.323
CHELPG
AIM
ESP

	x	y	z
x	2.547	-0.188	0.000
y	-0.188	2.547	0.000
z	0.000	0.000	2.549

<r²>	46.874
(<r²>)^1/2	6.846

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

using model chemistry: B3LYP/3-21G

States and conformations

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