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	hartrees
Energy at 0K	-190.542777
Energy at 298.15K	-190.548115
HF Energy	-189.965571
Nuclear repulsion energy	81.735117

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3898	3719	21.82
2	A	3068	2927	65.76
3	A	1563	1491	2.12
4	A	1441	1375	5.05
5	A	1245	1188	1.65
6	A	1079	1030	107.95
7	A	593	566	94.39
8	A	414	395	32.24
9	B	3897	3718	33.85
10	B	3117	2974	58.52
11	B	1499	1430	85.40
12	B	1410	1345	20.35
13	B	1140	1088	212.79
14	B	1051	1003	14.66
15	B	412	393	192.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.533
O2	0.000	1.166	-0.247
O3	0.000	-1.166	-0.247
H4	-0.893	-0.075	1.164
H5	0.893	0.075	1.164
H6	-0.794	1.127	-0.785
H7	0.794	-1.127	-0.785

	C1	O2	O3	H4	H5	H6	H7
C1		1.4029	1.4029	1.0960	1.0960	1.9073	1.9073
O2	1.4029		2.3313	2.0808	1.9949	0.9596	2.4847
O3	1.4029	2.3313		1.9949	2.0808	2.4847	0.9596
H4	1.0960	2.0808	1.9949		1.7923	2.2923	2.7841
H5	1.0960	1.9949	2.0808	1.7923		2.7841	2.2923
H6	1.9073	0.9596	2.4847	2.2923	2.7841		2.7564
H7	1.9073	2.4847	0.9596	2.7841	2.2923	2.7564

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	106.151	C1	O3	H7	106.151
O2	C1	O3	112.375	O2	C1	H4	112.167
O2	C1	H5	105.274	O3	C1	H4	105.274
O3	C1	H5	112.167	H4	C1	H5	109.702

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

using model chemistry: QCISD/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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All results from a given calculation for CH2(OH)2 (methanediol)

using model chemistry: QCISD/6-311G**

States and conformations

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