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	hartrees
Energy at 0K	-39.197150
Energy at 298.15K	-39.202523
HF Energy	-39.197150
Nuclear repulsion energy	49.255294

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4142	3720	35.50
2	A	3273	2939	105.14
3	A	1669	1499	4.85
4	A	1509	1355	7.18
5	A	1298	1166	2.15
6	A	1159	1041	142.47
7	A	611	549	114.39
8	A	438	393	70.95
9	B	4141	3719	64.11
10	B	3330	2990	98.63
11	B	1595	1433	141.72
12	B	1488	1337	51.11
13	B	1222	1097	286.97
14	B	1086	975	17.18
15	B	398	357	225.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.532
O2	0.000	1.160	-0.247
O3	0.000	-1.160	-0.247
H4	-0.890	-0.064	1.157
H5	0.890	0.064	1.157
H6	-0.792	1.173	-0.776
H7	0.792	-1.173	-0.776

	C1	O2	O3	H4	H5	H6	H7
C1		1.3975	1.3975	1.0886	1.0886	1.9270	1.9270
O2	1.3975		2.3197	2.0639	1.9909	0.9518	2.5197
O3	1.3975	2.3197		1.9909	2.0639	2.5197	0.9518
H4	1.0886	2.0639	1.9909		1.7838	2.2963	2.7911
H5	1.0886	1.9909	2.0639	1.7838		2.7911	2.2963
H6	1.9270	0.9518	2.5197	2.2963	2.7911		2.8305
H7	1.9270	2.5197	0.9518	2.7911	2.2963	2.8305

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	108.737	C1	O3	H7	108.737
O2	C1	O3	112.184	O2	C1	H4	111.625
O2	C1	H5	105.736	O3	C1	H4	105.736
O3	C1	H5	111.625	H4	C1	H5	110.027

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

using model chemistry: HF/CEP-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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Number	Element	Mulliken
1	C	-0.083
2	O	-0.536
3	O	-0.536
4	H	0.151
5	H	0.151
6	H	0.427
7	H	0.427

	x	y	z	Total
	0.000	0.000	-0.167	0.167
CHELPG
AIM
ESP

	x	y	z
x	2.528	-0.080	0.000
y	-0.080	2.526	0.000
z	0.000	0.000	2.569

<r²>	38.819
(<r²>)^1/2	6.231

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

using model chemistry: HF/CEP-31G*

States and conformations

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