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	hartrees
Energy at 0K	-190.861015
Energy at 298.15K	-190.866316
HF Energy	-190.861015
Nuclear repulsion energy	81.862305

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3795	3602	16.54
2	A	3068	2912	69.72
3	A	1561	1482	1.44
4	A	1421	1349	3.71
5	A	1229	1167	0.32
6	A	1079	1025	111.38
7	A	584	555	99.32
8	A	406	386	39.45
9	B	3794	3602	28.86
10	B	3118	2960	65.90
11	B	1478	1403	88.49
12	B	1396	1326	27.52
13	B	1135	1077	232.55
14	B	1026	974	23.03
15	B	417	396	204.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.527
O2	0.000	1.164	-0.245
O3	0.000	-1.164	-0.245
H4	-0.889	-0.079	1.161
H5	0.889	0.079	1.161
H6	-0.802	1.145	-0.784
H7	0.802	-1.145	-0.784

	C1	O2	O3	H4	H5	H6	H7
C1		1.3962	1.3962	1.0950	1.0950	1.9160	1.9160
O2	1.3962		2.3273	2.0764	1.9855	0.9665	2.5025
O3	1.3962	2.3273		1.9855	2.0764	2.5025	0.9665
H4	1.0950	2.0764	1.9855		1.7854	2.2995	2.7887
H5	1.0950	1.9855	2.0764	1.7854		2.7887	2.2995
H6	1.9160	0.9665	2.5025	2.2995	2.7887		2.7955
H7	1.9160	2.5025	0.9665	2.7887	2.2995	2.7955

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	106.969	C1	O3	H7	106.969
O2	C1	O3	112.913	O2	C1	H4	112.358
O2	C1	H5	105.048	O3	C1	H4	105.048
O3	C1	H5	112.358	H4	C1	H5	109.220

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

using model chemistry: B1B95/6-31G*

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	0.109
2	O	-0.614
3	O	-0.614
4	H	0.155
5	H	0.155
6	H	0.404
7	H	0.404

	x	y	z	Total
	0.000	0.000	-0.352	0.352
CHELPG
AIM
ESP

	x	y	z
x	2.770	-0.135	0.000
y	-0.135	2.740	0.000
z	0.000	0.000	2.793

<r²>	44.837
(<r²>)^1/2	6.696

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

using model chemistry: B1B95/6-31G*

States and conformations

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