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	hartrees
Energy at 0K	-189.900627
Energy at 298.15K	-189.906026
HF Energy	-189.900627
Nuclear repulsion energy	82.613551

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4093	3677	38.81
2	A	3245	2916	77.47
3	A	1697	1525	4.57
4	A	1528	1373	5.65
5	A	1319	1185	0.39
6	A	1166	1048	142.08
7	A	618	556	108.65
8	A	438	394	59.56
9	B	4092	3676	65.60
10	B	3293	2959	86.07
11	B	1610	1446	113.37
12	B	1507	1354	54.33
13	B	1233	1108	253.28
14	B	1102	990	26.26
15	B	411	369	219.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.527
O2	0.000	1.151	-0.244
O3	0.000	-1.151	-0.244
H4	-0.881	-0.064	1.153
H5	0.881	0.064	1.153
H6	-0.780	1.158	-0.784
H7	0.780	-1.158	-0.784

	C1	O2	O3	H4	H5	H6	H7
C1		1.3857	1.3857	1.0825	1.0825	1.9151	1.9151
O2	1.3857		2.3023	2.0505	1.9771	0.9486	2.4960
O3	1.3857	2.3023		1.9771	2.0505	2.4960	0.9486
H4	1.0825	2.0505	1.9771		1.7672	2.2919	2.7759
H5	1.0825	1.9771	2.0505	1.7672		2.7759	2.2919
H6	1.9151	0.9486	2.4960	2.2919	2.7759		2.7919
H7	1.9151	2.4960	0.9486	2.7759	2.2919	2.7919

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	108.805	C1	O3	H7	108.805
O2	C1	O3	112.345	O2	C1	H4	111.769
O2	C1	H5	105.802	O3	C1	H4	105.802
O3	C1	H5	111.769	H4	C1	H5	109.425

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

using model chemistry: HF/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	0.261
2	O	-0.730
3	O	-0.730
4	H	0.158
5	H	0.158
6	H	0.442
7	H	0.442

	x	y	z	Total
	0.000	0.000	-0.241	0.241
CHELPG
AIM
ESP

	x	y	z
x	2.573	-0.107	0.000
y	-0.107	2.443	0.000
z	0.000	0.000	2.572

<r²>	44.384
(<r²>)^1/2	6.662

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

using model chemistry: HF/6-31G*

States and conformations

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