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	hartrees
Energy at 0K	-190.744685
Energy at 298.15K	-190.749990
HF Energy	-190.744685
Nuclear repulsion energy	81.748582

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3789	3603	16.12
2	A	3060	2910	70.44
3	A	1559	1482	1.26
4	A	1423	1353	3.91
5	A	1230	1170	0.48
6	A	1077	1024	110.33
7	A	585	556	97.51
8	A	409	389	39.71
9	B	3788	3603	27.97
10	B	3110	2958	66.49
11	B	1477	1405	89.48
12	B	1398	1330	25.21
13	B	1131	1075	231.94
14	B	1027	977	21.20
15	B	419	399	204.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.527
O2	0.000	1.165	-0.245
O3	0.000	-1.165	-0.245
H4	-0.891	-0.080	1.163
H5	0.891	0.080	1.163
H6	-0.802	1.144	-0.786
H7	0.802	-1.144	-0.786

	C1	O2	O3	H4	H5	H6	H7
C1		1.3980	1.3980	1.0975	1.0975	1.9174	1.9174
O2	1.3980		2.3309	2.0802	1.9885	0.9678	2.5038
O3	1.3980	2.3309		1.9885	2.0802	2.5038	0.9678
H4	1.0975	2.0802	1.9885		1.7891	2.3033	2.7923
H5	1.0975	1.9885	2.0802	1.7891		2.7923	2.3033
H6	1.9174	0.9678	2.5038	2.3033	2.7923		2.7940
H7	1.9174	2.5038	0.9678	2.7923	2.3033	2.7940

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	106.873	C1	O3	H7	106.873
O2	C1	O3	112.958	O2	C1	H4	112.378
O2	C1	H5	105.021	O3	C1	H4	105.021
O3	C1	H5	112.378	H4	C1	H5	109.190

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

using model chemistry: HSEh1PBE/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	0.090
2	O	-0.613
3	O	-0.613
4	H	0.161
5	H	0.161
6	H	0.406
7	H	0.406

	x	y	z	Total
	0.000	0.000	-0.364	0.364
CHELPG
AIM
ESP

	x	y	z
x	2.782	-0.135	0.000
y	-0.135	2.760	0.000
z	0.000	0.000	2.808

<r²>	44.963
(<r²>)^1/2	6.705

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

using model chemistry: HSEh1PBE/6-31G*

States and conformations

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