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	hartrees
Energy at 0K	-189.820582
Energy at 298.15K	-189.825768
HF Energy	-189.820582
Nuclear repulsion energy	78.677349

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3282	3264	2.27
2	A	2941	2925	71.77
3	A	1531	1523	1.23
4	A	1383	1375	2.32
5	A	1171	1164	4.23
6	A	911	906	86.34
7	A	556	553	111.93
8	A	374	372	12.52
9	B	3285	3267	6.40
10	B	2981	2964	67.36
11	B	1405	1397	50.06
12	B	1342	1335	10.94
13	B	977	972	34.68
14	B	947	942	155.96
15	B	421	419	203.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.549
O2	0.000	1.220	-0.251
O3	0.000	-1.220	-0.251
H4	-0.896	-0.113	1.184
H5	0.896	0.113	1.184
H6	-0.833	1.173	-0.824
H7	0.833	-1.173	-0.824

	C1	O2	O3	H4	H5	H6	H7
C1		1.4591	1.4591	1.1040	1.1040	1.9883	1.9883
O2	1.4591		2.4403	2.1538	2.0223	1.0117	2.5975
O3	1.4591	2.4403		2.0223	2.1538	2.5975	1.0117
H4	1.1040	2.1538	2.0223		1.8062	2.3848	2.8538
H5	1.1040	2.0223	2.1538	1.8062		2.8538	2.3848
H6	1.9883	1.0117	2.5975	2.3848	2.8538		2.8766
H7	1.9883	2.5975	1.0117	2.8538	2.3848	2.8766

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	105.737	C1	O3	H7	105.737
O2	C1	O3	113.483	O2	C1	H4	113.619
O2	C1	H5	103.310	O3	C1	H4	103.310
O3	C1	H5	113.619	H4	C1	H5	109.775

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

using model chemistry: BLYP/3-21G

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	0.023
2	O	-0.506
3	O	-0.506
4	H	0.180
5	H	0.180
6	H	0.315
7	H	0.315

	x	y	z	Total
	0.000	0.000	-0.360	0.360
CHELPG
AIM
ESP

	x	y	z
x	2.681	-0.211	0.000
y	-0.211	2.774	0.000
z	0.000	0.000	2.695

<r²>	47.762
(<r²>)^1/2	6.911

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

using model chemistry: BLYP/3-21G

States and conformations

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