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	hartrees
Energy at 0K	-189.929977
Energy at 298.15K	-189.935340
HF Energy	-189.929977
Nuclear repulsion energy	82.791008

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4162	3769	40.48
2	A	3186	2885	74.64
3	A	1670	1512	2.39
4	A	1515	1372	5.05
5	A	1312	1188	0.21
6	A	1158	1048	124.96
7	A	610	553	78.31
8	A	417	378	62.24
9	B	4160	3767	66.32
10	B	3230	2925	75.64
11	B	1591	1441	92.68
12	B	1496	1354	53.94
13	B	1224	1108	232.85
14	B	1099	995	26.33
15	B	389	353	184.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.525
O2	0.000	1.149	-0.244
O3	0.000	-1.149	-0.244
H4	-0.882	-0.063	1.154
H5	0.882	0.063	1.154
H6	-0.775	1.157	-0.779
H7	0.775	-1.157	-0.779

	C1	O2	O3	H4	H5	H6	H7
C1		1.3828	1.3828	1.0852	1.0852	1.9079	1.9079
O2	1.3828		2.2979	2.0500	1.9780	0.9418	2.4908
O3	1.3828	2.2979		1.9780	2.0500	2.4908	0.9418
H4	1.0852	2.0500	1.9780		1.7689	2.2882	2.7712
H5	1.0852	1.9780	2.0500	1.7689		2.7712	2.2882
H6	1.9079	0.9418	2.4908	2.2882	2.7712		2.7855
H7	1.9079	2.4908	0.9418	2.7712	2.2882	2.7855

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	108.841	C1	O3	H7	108.841
O2	C1	O3	112.383	O2	C1	H4	111.764
O2	C1	H5	105.908	O3	C1	H4	105.908
O3	C1	H5	111.764	H4	C1	H5	109.171

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

using model chemistry: HF/6-31G(2df,p)

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	0.200
2	O	-0.551
3	O	-0.551
4	H	0.122
5	H	0.122
6	H	0.329
7	H	0.329

	x	y	z	Total
	0.000	0.000	-0.262	0.262
CHELPG
AIM
ESP

	x	y	z
x	2.784	-0.124	0.000
y	-0.124	2.754	0.000
z	0.000	0.000	2.839

<r²>	44.127
(<r²>)^1/2	6.643

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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