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	hartrees
Energy at 0K	-188.340535
Energy at 298.15K	-188.345549
HF Energy	-188.340535
Nuclear repulsion energy	78.310674

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3688	3291	16.61
2	A	3216	2870	23.38
3	A	1636	1460	0.65
4	A	1563	1395	2.04
5	A	1251	1117	0.60
6	A	1046	933	24.22
7	A	513	458	65.14
8	A	385	344	18.40
9	B	3691	3294	56.42
10	B	3324	2966	9.35
11	B	1586	1416	37.66
12	B	1461	1304	17.31
13	B	1118	998	53.30
14	B	1018	908	11.88
15	B	386	344	102.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.550
O2	0.000	1.223	-0.258
O3	0.000	-1.223	-0.258
H4	-0.905	-0.088	1.202
H5	0.905	0.088	1.202
H6	-0.877	1.121	-0.785
H7	0.877	-1.121	-0.785

	C1	O2	O3	H4	H5	H6	H7
C1		1.4656	1.4656	1.1193	1.1193	1.9517	1.9517
O2	1.4656		2.4457	2.1610	2.0592	1.0285	2.5580
O3	1.4656	2.4457		2.0592	2.1610	2.5580	1.0285
H4	1.1193	2.1610	2.0592		1.8191	2.3264	2.8627
H5	1.1193	2.0592	2.1610	1.8191		2.8627	2.3264
H6	1.9517	1.0285	2.5580	2.3264	2.8627		2.8479
H7	1.9517	2.5580	1.0285	2.8627	2.3264	2.8479

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	101.545	C1	O3	H7	101.545
O2	C1	O3	113.098	O2	C1	H4	112.755
O2	C1	H5	104.820	O3	C1	H4	104.820
O3	C1	H5	112.755	H4	C1	H5	108.695

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

using model chemistry: B3LYP/STO-3G

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	0.022
2	O	-0.249
3	O	-0.249
4	H	0.069
5	H	0.069
6	H	0.169
7	H	0.169

	x	y	z	Total
	0.000	0.000	-0.167	0.167
CHELPG
AIM
ESP

	x	y	z
x	1.725	-0.202	0.000
y	-0.202	1.688	0.000
z	0.000	0.000	1.638

<r²>	47.007
(<r²>)^1/2	6.856

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

using model chemistry: B3LYP/STO-3G

States and conformations

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