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	hartrees
Energy at 0K	-190.540899
Energy at 298.15K	-190.546177
HF Energy	-189.928164
Nuclear repulsion energy	81.782264

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3871	3656	29.15
2	A	3098	2926	52.58
3	A	1567	1480	0.78
4	A	1426	1347	3.45
5	A	1236	1168	0.81
6	A	1066	1007	99.37
7	A	576	544	75.20
8	A	393	371	41.49
9	B	3869	3655	47.54
10	B	3160	2985	44.07
11	B	1478	1396	62.66
12	B	1399	1322	27.92
13	B	1127	1065	209.54
14	B	1036	978	25.29
15	B	397	375	177.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.530
O2	0.000	1.166	-0.246
O3	0.000	-1.166	-0.246
H4	-0.890	-0.078	1.160
H5	0.890	0.078	1.160
H6	-0.801	1.136	-0.777
H7	0.801	-1.136	-0.777

	C1	O2	O3	H4	H5	H6	H7
C1		1.4008	1.4008	1.0933	1.0933	1.9080	1.9080
O2	1.4008		2.3323	2.0780	1.9887	0.9617	2.4946
O3	1.4008	2.3323		1.9887	2.0780	2.4946	0.9617
H4	1.0933	2.0780	1.9887		1.7864	2.2880	2.7809
H5	1.0933	1.9887	2.0780	1.7864		2.7809	2.2880
H6	1.9080	0.9617	2.4946	2.2880	2.7809		2.7801
H7	1.9080	2.4946	0.9617	2.7809	2.2880	2.7801

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	106.238	C1	O3	H7	106.238
O2	C1	O3	112.707	O2	C1	H4	112.259
O2	C1	H5	105.086	O3	C1	H4	105.086
O3	C1	H5	112.259	H4	C1	H5	109.563

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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