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	hartrees
Energy at 0K	-189.925966
Energy at 298.15K	-189.931332
HF Energy	-189.925966
Nuclear repulsion energy	82.574816

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4170	3770	49.88
2	A	3227	2918	72.42
3	A	1674	1513	2.29
4	A	1501	1357	4.74
5	A	1294	1170	0.59
6	A	1159	1048	139.57
7	A	611	553	100.34
8	A	431	389	74.17
9	B	4168	3769	84.66
10	B	3279	2965	63.58
11	B	1588	1436	93.83
12	B	1477	1336	56.31
13	B	1216	1100	288.78
14	B	1085	981	23.55
15	B	386	349	221.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.527
O2	0.000	1.152	-0.245
O3	0.000	-1.152	-0.245
H4	-0.883	-0.062	1.150
H5	0.883	0.062	1.150
H6	-0.780	1.183	-0.776
H7	0.780	-1.183	-0.776

	C1	O2	O3	H4	H5	H6	H7
C1		1.3864	1.3864	1.0827	1.0827	1.9254	1.9254
O2	1.3864		2.3032	2.0490	1.9782	0.9446	2.5184
O3	1.3864	2.3032		1.9782	2.0490	2.5184	0.9446
H4	1.0827	2.0490	1.9782		1.7711	2.2957	2.7812
H5	1.0827	1.9782	2.0490	1.7711		2.7812	2.2957
H6	1.9254	0.9446	2.5184	2.2957	2.7812		2.8348
H7	1.9254	2.5184	0.9446	2.7812	2.2957	2.8348

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	109.932	C1	O3	H7	109.932
O2	C1	O3	112.327	O2	C1	H4	111.579
O2	C1	H5	105.836	O3	C1	H4	105.836
O3	C1	H5	111.579	H4	C1	H5	109.762

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

using model chemistry: HF/6-31+G**

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	0.294
2	O	-0.624
3	O	-0.624
4	H	0.111
5	H	0.111
6	H	0.366
7	H	0.366

	x	y	z	Total
	0.000	0.000	-0.105	0.105
CHELPG
AIM
ESP

	x	y	z
x	2.874	-0.098	0.000
y	-0.098	3.016	0.000
z	0.000	0.000	2.994

<r²>	44.733
(<r²>)^1/2	6.688

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

using model chemistry: HF/6-31+G**

States and conformations

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