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	hartrees
Energy at 0K	-190.880187
Energy at 298.15K	-190.885425
HF Energy	-190.880187
Nuclear repulsion energy	81.643956

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3887	3701	35.70
2	A	3095	2947	58.38
3	A	1538	1464	0.82
4	A	1388	1321	3.08
5	A	1204	1146	0.02
6	A	1079	1027	117.78
7	A	576	549	93.89
8	A	399	380	59.79
9	B	3886	3701	63.56
10	B	3149	2998	46.99
11	B	1458	1388	70.47
12	B	1359	1294	34.30
13	B	1131	1076	265.72
14	B	1005	957	26.15
15	B	365	348	217.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.532
O2	0.000	1.164	-0.247
O3	0.000	-1.164	-0.247
H4	-0.894	-0.071	1.160
H5	0.894	0.071	1.160
H6	-0.807	1.177	-0.777
H7	0.807	-1.177	-0.777

	C1	O2	O3	H4	H5	H6	H7
C1		1.4011	1.4011	1.0945	1.0945	1.9364	1.9364
O2	1.4011		2.3287	2.0750	1.9934	0.9651	2.5325
O3	1.4011	2.3287		1.9934	2.0750	2.5325	0.9651
H4	1.0945	2.0750	1.9934		1.7930	2.3058	2.8045
H5	1.0945	1.9934	2.0750	1.7930		2.8045	2.3058
H6	1.9364	0.9651	2.5325	2.3058	2.8045		2.8539
H7	1.9364	2.5325	0.9651	2.8045	2.3058	2.8539

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	108.434	C1	O3	H7	108.434
O2	C1	O3	112.407	O2	C1	H4	111.910
O2	C1	H5	105.366	O3	C1	H4	105.366
O3	C1	H5	111.910	H4	C1	H5	109.995

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

using model chemistry: M06-2X/6-31+G**

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	0.095
2	O	-0.553
3	O	-0.553
4	H	0.139
5	H	0.139
6	H	0.366
7	H	0.366

	x	y	z	Total
	0.000	0.000	-0.123	0.123
CHELPG
AIM
ESP

	x	y	z
x	3.170	-0.110	0.000
y	-0.110	3.441	0.000
z	0.000	0.000	3.333

<r²>	45.514
(<r²>)^1/2	6.746

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

using model chemistry: M06-2X/6-31+G**

States and conformations

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