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	hartrees
Energy at 0K	-190.926848
Energy at 298.15K	-190.932140
HF Energy	-190.926848
Nuclear repulsion energy	81.849657

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3888	3888	30.78
2	A	3076	3076	59.18
3	A	1544	1544	0.88
4	A	1408	1408	3.84
5	A	1223	1223	0.17
6	A	1081	1081	113.67
7	A	584	584	92.56
8	A	404	404	44.05
9	B	3888	3888	51.57
10	B	3125	3125	49.67
11	B	1472	1472	71.60
12	B	1376	1376	31.77
13	B	1132	1132	236.62
14	B	1029	1029	20.76
15	B	391	391	201.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.532
O2	0.000	1.162	-0.247
O3	0.000	-1.162	-0.247
H4	-0.891	-0.073	1.162
H5	0.891	0.073	1.162
H6	-0.796	1.146	-0.785
H7	0.796	-1.146	-0.785

	C1	O2	O3	H4	H5	H6	H7
C1		1.3990	1.3990	1.0935	1.0935	1.9193	1.9193
O2	1.3990		2.3241	2.0744	1.9911	0.9616	2.5004
O3	1.3990	2.3241		1.9911	2.0744	2.5004	0.9616
H4	1.0935	2.0744	1.9911		1.7881	2.2992	2.7913
H5	1.0935	1.9911	2.0744	1.7881		2.7913	2.2992
H6	1.9193	0.9616	2.5004	2.2992	2.7913		2.7913
H7	1.9193	2.5004	0.9616	2.7913	2.2992	2.7913

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	107.338	C1	O3	H7	107.338
O2	C1	O3	112.330	O2	C1	H4	112.082
O2	C1	H5	105.382	O3	C1	H4	105.382
O3	C1	H5	112.082	H4	C1	H5	109.692

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

using model chemistry: M06-2X/6-311G**

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	0.104
2	O	-0.421
3	O	-0.421
4	H	0.119
5	H	0.119
6	H	0.250
7	H	0.250

	x	y	z	Total
	0.000	0.000	-0.209	0.209
CHELPG
AIM
ESP

	x	y	z
x	2.871	-0.158	0.000
y	-0.158	2.943	0.000
z	0.000	0.000	2.962

<r²>	44.999
(<r²>)^1/2	6.708

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

using model chemistry: M06-2X/6-311G**

States and conformations

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