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	hartrees
Energy at 0K	-190.797120
Energy at 298.15K	-190.802389
HF Energy	-190.797120
Nuclear repulsion energy	80.453662

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3696	3525	8.16
2	A	3108	2964	54.11
3	A	1563	1491	0.13
4	A	1398	1333	2.83
5	A	1207	1151	1.08
6	A	1012	966	121.26
7	A	560	534	163.53
8	A	417	398	41.85
9	B	3697	3526	14.42
10	B	3173	3026	46.90
11	B	1459	1392	35.45
12	B	1372	1309	28.56
13	B	1055	1007	229.96
14	B	1002	956	50.01
15	B	411	392	256.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.539
O2	0.000	1.187	-0.249
O3	0.000	-1.187	-0.249
H4	-0.890	-0.086	1.162
H5	0.890	0.086	1.162
H6	-0.810	1.236	-0.787
H7	0.810	-1.236	-0.787

	C1	O2	O3	H4	H5	H6	H7
C1		1.4246	1.4246	1.0899	1.0899	1.9857	1.9857
O2	1.4246		2.3739	2.0984	1.9985	0.9741	2.6109
O3	1.4246	2.3739		1.9985	2.0984	2.6109	0.9741
H4	1.0899	2.0984	1.9985		1.7893	2.3563	2.8306
H5	1.0899	1.9985	2.0984	1.7893		2.8306	2.3563
H6	1.9857	0.9741	2.6109	2.3563	2.8306		2.9558
H7	1.9857	2.6109	0.9741	2.8306	2.3563	2.9558

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	110.336	C1	O3	H7	110.336
O2	C1	O3	112.846	O2	C1	H4	112.447
O2	C1	H5	104.475	O3	C1	H4	104.475
O3	C1	H5	112.447	H4	C1	H5	110.337

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

using model chemistry: B1B95/6-31G

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	0.119
2	O	-0.612
3	O	-0.612
4	H	0.176
5	H	0.176
6	H	0.376
7	H	0.376

	x	y	z	Total
	0.000	0.000	-0.166	0.166
CHELPG
AIM
ESP

	x	y	z
x	2.631	-0.175	0.000
y	-0.175	2.740	0.000
z	0.000	0.000	2.587

<r²>	46.473
(<r²>)^1/2	6.817

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

using model chemistry: B1B95/6-31G

States and conformations

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