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	hartrees
Energy at 0K	-190.437173
Energy at 298.15K	-190.442483
HF Energy	-189.914586
Nuclear repulsion energy	81.527689

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3884	3629	22.70
2	A	3133	2927	63.61
3	A	1599	1494	2.64
4	A	1429	1335	3.60
5	A	1238	1157	0.81
6	A	1068	998	113.23
7	A	584	545	98.65
8	A	406	380	40.17
9	B	3883	3628	36.61
10	B	3201	2991	58.03
11	B	1495	1397	75.32
12	B	1404	1312	29.44
13	B	1129	1055	223.44
14	B	1039	971	27.38
15	B	415	388	206.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.532
O2	0.000	1.171	-0.247
O3	0.000	-1.171	-0.247
H4	-0.888	-0.079	1.159
H5	0.888	0.079	1.159
H6	-0.803	1.144	-0.782
H7	0.803	-1.144	-0.782

	C1	O2	O3	H4	H5	H6	H7
C1		1.4062	1.4062	1.0899	1.0899	1.9183	1.9183
O2	1.4062		2.3418	2.0803	1.9891	0.9650	2.5082
O3	1.4062	2.3418		1.9891	2.0803	2.5082	0.9650
H4	1.0899	2.0803	1.9891		1.7827	2.2960	2.7855
H5	1.0899	1.9891	2.0803	1.7827		2.7855	2.2960
H6	1.9183	0.9650	2.5082	2.2960	2.7855		2.7957
H7	1.9183	2.5082	0.9650	2.7855	2.2960	2.7957

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	106.506	C1	O3	H7	106.506
O2	C1	O3	112.743	O2	C1	H4	112.287
O2	C1	H5	104.958	O3	C1	H4	104.958
O3	C1	H5	112.287	H4	C1	H5	109.740

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

using model chemistry: MP2=FULL/6-31G**

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=FULL/6-31G**

States and conformations

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