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	hartrees
Energy at 0K	-190.440073
Energy at 298.15K	-190.445470
HF Energy	-189.949405
Nuclear repulsion energy	82.193691

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3974	3677	19.02
2	A	3151	2916	67.64
3	A	1606	1486	0.97
4	A	1473	1363	7.56
5	A	1275	1180	2.30
6	A	1124	1040	125.48
7	A	614	568	122.98
8	A	434	402	43.61
9	B	3971	3674	29.33
10	B	3205	2965	61.16
11	B	1539	1424	99.77
12	B	1450	1341	31.74
13	B	1180	1092	238.71
14	B	1064	985	19.19
15	B	430	398	231.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.529
O2	0.000	1.158	-0.245
O3	0.000	-1.158	-0.245
H4	-0.888	-0.073	1.155
H5	0.888	0.073	1.155
H6	-0.788	1.156	-0.781
H7	0.788	-1.156	-0.781

	C1	O2	O3	H4	H5	H6	H7
C1		1.3933	1.3933	1.0891	1.0891	1.9169	1.9169
O2	1.3933		2.3162	2.0653	1.9819	0.9528	2.5029
O3	1.3933	2.3162		1.9819	2.0653	2.5029	0.9528
H4	1.0891	2.0653	1.9819		1.7828	2.2952	2.7806
H5	1.0891	1.9819	2.0653	1.7828		2.7806	2.2952
H6	1.9169	0.9528	2.5029	2.2952	2.7806		2.7990
H7	1.9169	2.5029	0.9528	2.7806	2.2952	2.7990

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	108.111	C1	O3	H7	108.111
O2	C1	O3	112.436	O2	C1	H4	112.028
O2	C1	H5	105.295	O3	C1	H4	105.295
O3	C1	H5	112.028	H4	C1	H5	109.875

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

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

States and conformations

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