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	hartrees
Energy at 0K	-190.883095
Energy at 298.15K	-190.888316
HF Energy	-190.883095
Nuclear repulsion energy	80.383112

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3560	3531	3.76
2	A	2950	2927	72.87
3	A	1509	1497	1.69
4	A	1378	1367	3.15
5	A	1181	1171	2.50
6	A	987	979	92.79
7	A	556	551	85.46
8	A	392	389	28.42
9	B	3560	3531	6.38
10	B	2995	2970	69.70
11	B	1428	1416	78.77
12	B	1350	1339	18.10
13	B	1013	1005	230.39
14	B	988	980	9.48
15	B	422	419	184.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.524
O2	0.000	1.191	-0.243
O3	0.000	-1.191	-0.243
H4	-0.895	-0.088	1.168
H5	0.895	0.088	1.168
H6	-0.808	1.181	-0.794
H7	0.808	-1.181	-0.794

	C1	O2	O3	H4	H5	H6	H7
C1		1.4172	1.4172	1.1062	1.1062	1.9451	1.9451
O2	1.4172		2.3825	2.1051	2.0027	0.9773	2.5653
O3	1.4172	2.3825		2.0027	2.1051	2.5653	0.9773
H4	1.1062	2.1051	2.0027		1.7986	2.3384	2.8182
H5	1.1062	2.0027	2.1051	1.7986		2.8182	2.3384
H6	1.9451	0.9773	2.5653	2.3384	2.8182		2.8609
H7	1.9451	2.5653	0.9773	2.8182	2.3384	2.8609

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	107.211	C1	O3	H7	107.211
O2	C1	O3	114.401	O2	C1	H4	112.491
O2	C1	H5	104.381	O3	C1	H4	104.381
O3	C1	H5	112.491	H4	C1	H5	108.770

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

using model chemistry: BLYP/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	0.122
2	O	-0.555
3	O	-0.555
4	H	0.126
5	H	0.126
6	H	0.368
7	H	0.368

	x	y	z	Total
	0.000	0.000	-0.360	0.360
CHELPG
AIM
ESP

	x	y	z
x	2.937	-0.186	0.000
y	-0.186	3.016	0.000
z	0.000	0.000	2.971

<r²>	46.247
(<r²>)^1/2	6.801

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

using model chemistry: BLYP/6-31G*

States and conformations

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