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	hartrees
Energy at 0K	-188.341869
Energy at 298.15K	-188.346909
HF Energy	-188.341869
Nuclear repulsion energy	79.277059

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3835	3835	10.40
2	A	3316	3316	14.29
3	A	1666	1666	0.73
4	A	1580	1580	2.65
5	A	1282	1282	0.01
6	A	1101	1101	26.53
7	A	518	518	66.80
8	A	393	393	24.19
9	B	3837	3837	39.47
10	B	3423	3423	5.05
11	B	1607	1607	43.16
12	B	1492	1492	15.63
13	B	1203	1203	38.41
14	B	1033	1033	13.88
15	B	368	368	112.89

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.550
O2	0.000	1.203	-0.256
O3	0.000	-1.203	-0.256
H4	-0.900	-0.079	1.200
H5	0.900	0.079	1.200
H6	-0.850	1.085	-0.803
H7	0.850	-1.085	-0.803

	C1	O2	O3	H4	H5	H6	H7
C1		1.4478	1.4478	1.1134	1.1134	1.9311	1.9311
O2	1.4478		2.4054	2.1388	2.0478	1.0171	2.5010
O3	1.4478	2.4054		2.0478	2.1388	2.5010	1.0171
H4	1.1134	2.1388	2.0478		1.8074	2.3174	2.8436
H5	1.1134	2.0478	2.1388	1.8074		2.8436	2.3174
H6	1.9311	1.0171	2.5010	2.3174	2.8436		2.7564
H7	1.9311	2.5010	1.0171	2.8436	2.3174	2.7564

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	101.724	C1	O3	H7	101.724
O2	C1	O3	112.343	O2	C1	H4	112.599
O2	C1	H5	105.431	O3	C1	H4	105.431
O3	C1	H5	112.599	H4	C1	H5	108.520

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

using model chemistry: M06-2X/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	0.042
2	O	-0.265
3	O	-0.265
4	H	0.069
5	H	0.069
6	H	0.175
7	H	0.175

	x	y	z	Total
	0.000	0.000	-0.207	0.207
CHELPG
AIM
ESP

	x	y	z
x	1.655	-0.170	0.000
y	-0.170	1.535	0.000
z	0.000	0.000	1.638

<r²>	46.024
(<r²>)^1/2	6.784

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

using model chemistry: M06-2X/STO-3G

States and conformations

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