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	hartrees
Energy at 0K	-190.692234
Energy at 298.15K	-190.687528
HF Energy	-189.895156
Nuclear repulsion energy	82.665963

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4100	4100	31.13
2	A	3229	3229	77.41
3	A	1678	1678	3.61
4	A	1527	1527	6.64
5	A	1311	1311	0.82
6	A	1168	1168	145.15
7	A	624	624	124.45
8	A	449	449	64.18
9	B	4099	4099	53.11
10	B	3282	3282	81.60
11	B	1600	1600	110.30
12	B	1503	1503	52.29
13	B	1228	1228	261.38
14	B	1092	1092	22.16
15	B	415	415	233.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.527
O2	0.000	1.151	-0.244
O3	0.000	-1.151	-0.244
H4	-0.884	-0.067	1.154
H5	0.884	0.067	1.154
H6	-0.774	1.166	-0.785
H7	0.774	-1.166	-0.785

	C1	O2	O3	H4	H5	H6	H7
C1		1.3858	1.3858	1.0857	1.0857	1.9180	1.9180
O2	1.3858		2.3025	2.0541	1.9780	0.9439	2.5018
O3	1.3858	2.3025		1.9780	2.0541	2.5018	0.9439
H4	1.0857	2.0541	1.9780		1.7733	2.2998	2.7775
H5	1.0857	1.9780	2.0541	1.7733		2.7775	2.2998
H6	1.9180	0.9439	2.5018	2.2998	2.7775		2.7981
H7	1.9180	2.5018	0.9439	2.7775	2.2998	2.7981

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	109.363	C1	O3	H7	109.363
O2	C1	O3	112.345	O2	C1	H4	111.853
O2	C1	H5	105.684	O3	C1	H4	105.684
O3	C1	H5	111.853	H4	C1	H5	109.504

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

using model chemistry: CBS-Q

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

using model chemistry: CBS-Q

States and conformations

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