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	hartrees
Energy at 0K	-190.827875
Energy at 298.15K	-190.833131
HF Energy	-190.827875
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3641	3570	6.78
2	A	2974	2916	80.55
3	A	1522	1492	1.67
4	A	1392	1365	3.13
5	A	1197	1174	2.00
6	A	1009	990	99.94
7	A	565	554	89.76
8	A	402	394	32.45
9	B	3642	3570	11.57
10	B	3022	2963	77.31
11	B	1443	1415	82.80
12	B	1365	1338	18.24
13	B	1038	1018	253.20
14	B	1002	982	0.49
15	B	428	419	190.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.532
O2	0.000	1.182	-0.247
O3	0.000	-1.182	-0.247
H4	-0.897	-0.086	1.167
H5	0.897	0.086	1.167
H6	-0.809	1.150	-0.791
H7	0.809	-1.150	-0.791

	C1	O2	O3	H4	H5	H6	H7
C1		1.4153	1.4153	1.1026	1.1026	1.9302	1.9302
O2	1.4153		2.3638	2.1004	2.0011	0.9755	2.5273
O3	1.4153	2.3638		2.0011	2.1004	2.5273	0.9755
H4	1.1026	2.1004	2.0011		1.8021	2.3172	2.8063
H5	1.1026	2.0011	2.1004	1.8021		2.8063	2.3172
H6	1.9302	0.9755	2.5273	2.3172	2.8063		2.8117
H7	1.9302	2.5273	0.9755	2.8063	2.3172	2.8117

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	106.934	C1	O3	H7	106.934
O2	C1	O3	114.335	O2	C1	H4	112.445
O2	C1	H5	104.398	O3	C1	H4	104.398
O3	C1	H5	112.445	H4	C1	H5	108.901

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

using model chemistry: B97D3/6-31G*

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	0.108
2	O	-0.581
3	O	-0.581
4	H	0.143
5	H	0.143
6	H	0.385
7	H	0.385

	x	y	z	Total
	0.000	0.000	-0.359	0.359
CHELPG
AIM
ESP

	x	y	z
x	2.879	-0.156	0.000
y	-0.156	2.951	0.000
z	0.000	0.000	2.915

<r²>	45.733
(<r²>)^1/2	6.763

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

using model chemistry: B97D3/6-31G*

States and conformations

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