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	hartrees
Energy at 0K	-190.615734
Energy at 298.15K	-190.621083
HF Energy	-189.984474
Nuclear repulsion energy	81.711780

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3870	3667	24.30
2	A	3091	2929	58.70
3	A	1568	1485	1.96
4	A	1438	1363	4.25
5	A	1245	1180	2.15
6	A	1074	1018	108.98
7	A	598	567	95.90
8	A	423	401	39.11
9	B	3869	3666	35.92
10	B	3145	2980	45.29
11	B	1509	1430	76.56
12	B	1408	1334	23.06
13	B	1121	1063	231.92
14	B	1054	999	11.03
15	B	414	392	197.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.535
O2	0.000	1.165	-0.247
O3	0.000	-1.165	-0.247
H4	-0.890	-0.073	1.161
H5	0.890	0.073	1.161
H6	-0.796	1.140	-0.788
H7	0.796	-1.140	-0.788

	C1	O2	O3	H4	H5	H6	H7
C1		1.4034	1.4034	1.0907	1.0907	1.9189	1.9189
O2	1.4034		2.3299	2.0757	1.9921	0.9622	2.4973
O3	1.4034	2.3299		1.9921	2.0757	2.4973	0.9622
H4	1.0907	2.0757	1.9921		1.7868	2.2971	2.7889
H5	1.0907	1.9921	2.0757	1.7868		2.7889	2.2971
H6	1.9189	0.9622	2.4973	2.2971	2.7889		2.7800
H7	1.9189	2.4973	0.9622	2.7889	2.2971	2.7800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	106.942	C1	O3	H7	106.942
O2	C1	O3	112.212	O2	C1	H4	112.053
O2	C1	H5	105.328	O3	C1	H4	105.328
O3	C1	H5	112.053	H4	C1	H5	109.990

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

using model chemistry: CCSD=FULL/TZVP

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: CCSD=FULL/TZVP

States and conformations

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