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	hartrees
Energy at 0K	-190.854043
Energy at 298.15K	-190.859310
HF Energy	-190.854043
Nuclear repulsion energy	81.755700

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3818	3615	23.72
2	A	3098	2934	64.12
3	A	1563	1480	2.04
4	A	1417	1342	3.81
5	A	1228	1163	0.00
6	A	1089	1031	116.29
7	A	583	552	96.96
8	A	399	378	45.34
9	B	3817	3615	38.42
10	B	3148	2981	64.34
11	B	1480	1402	92.98
12	B	1391	1317	32.47
13	B	1152	1091	220.53
14	B	1023	969	27.82
15	B	388	367	212.89

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.532
O2	0.000	1.163	-0.246
O3	0.000	-1.163	-0.246
H4	-0.892	-0.075	1.165
H5	0.892	0.075	1.165
H6	-0.799	1.138	-0.793
H7	0.799	-1.138	-0.793

	C1	O2	O3	H4	H5	H6	H7
C1		1.3991	1.3991	1.0958	1.0958	1.9211	1.9211
O2	1.3991		2.3254	2.0780	1.9918	0.9687	2.4964
O3	1.3991	2.3254		1.9918	2.0780	2.4964	0.9687
H4	1.0958	2.0780	1.9918		1.7895	2.3055	2.7967
H5	1.0958	1.9918	2.0780	1.7895		2.7967	2.3055
H6	1.9211	0.9687	2.4964	2.3055	2.7967		2.7812
H7	1.9211	2.4964	0.9687	2.7967	2.3055	2.7812

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	107.054	C1	O3	H7	107.054
O2	C1	O3	112.411	O2	C1	H4	112.226
O2	C1	H5	105.301	O3	C1	H4	105.301
O3	C1	H5	112.226	H4	C1	H5	109.486

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

using model chemistry: M06-2X/6-31G*

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	0.136
2	O	-0.636
3	O	-0.636
4	H	0.155
5	H	0.155
6	H	0.412
7	H	0.412

	x	y	z	Total
	0.000	0.000	-0.341	0.341
CHELPG
AIM
ESP

	x	y	z
x	2.776	-0.121	0.000
y	-0.121	2.698	0.000
z	0.000	0.000	2.798

<r²>	44.948
(<r²>)^1/2	6.704

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

using model chemistry: M06-2X/6-31G*

States and conformations

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