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	hartrees
Energy at 0K	-189.990306
Energy at 298.15K	-189.995587
HF Energy	-189.990306
Nuclear repulsion energy	81.818284

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3643	3575	11.68
2	A	2945	2890	69.02
3	A	1488	1460	0.31
4	A	1366	1340	3.04
5	A	1188	1166	0.01
6	A	1059	1040	106.47
7	A	591	580	98.31
8	A	395	388	28.08
9	B	3644	3575	19.52
10	B	2990	2934	59.62
11	B	1410	1384	82.00
12	B	1341	1316	19.67
13	B	1122	1101	222.64
14	B	995	976	24.42
15	B	429	421	216.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.525
O2	0.000	1.160	-0.243
O3	0.000	-1.160	-0.243
H4	-0.897	-0.090	1.172
H5	0.897	0.090	1.172
H6	-0.806	1.124	-0.799
H7	0.806	-1.124	-0.799

	C1	O2	O3	H4	H5	H6	H7
C1		1.3914	1.3914	1.1097	1.1097	1.9148	1.9148
O2	1.3914		2.3205	2.0906	1.9878	0.9799	2.4855
O3	1.3914	2.3205		1.9878	2.0906	2.4855	0.9799
H4	1.1097	2.0906	1.9878		1.8033	2.3168	2.8025
H5	1.1097	1.9878	2.0906	1.8033		2.8025	2.3168
H6	1.9148	0.9799	2.4855	2.3168	2.8025		2.7666
H7	1.9148	2.4855	0.9799	2.8025	2.3168	2.7666

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	106.406	C1	O3	H7	106.406
O2	C1	O3	112.996	O2	C1	H4	112.934
O2	C1	H5	104.704	O3	C1	H4	104.704
O3	C1	H5	112.934	H4	C1	H5	108.689

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

using model chemistry: LSDA/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	-0.013
2	O	-0.557
3	O	-0.557
4	H	0.164
5	H	0.164
6	H	0.399
7	H	0.399

	x	y	z	Total
	0.000	0.000	-0.522	0.522
CHELPG
AIM
ESP

	x	y	z
x	2.934	-0.167	0.000
y	-0.167	2.898	0.000
z	0.000	0.000	2.998

<r²>	44.829
(<r²>)^1/2	6.695

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

using model chemistry: LSDA/6-31G*

States and conformations

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