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	hartrees
Energy at 0K	-190.353558
Energy at 298.15K	-190.358910
HF Energy	-189.899704
Nuclear repulsion energy	81.864695

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3897	3599	27.05
2	A	3163	2922	60.17
3	A	1628	1504	1.96
4	A	1467	1355	5.49
5	A	1271	1174	0.49
6	A	1117	1032	122.13
7	A	599	553	109.05
8	A	425	393	45.98
9	B	3893	3596	44.99
10	B	3218	2973	61.27
11	B	1532	1415	98.37
12	B	1448	1337	33.06
13	B	1184	1094	220.62
14	B	1062	981	28.31
15	B	414	383	217.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.532
O2	0.000	1.162	-0.246
O3	0.000	-1.162	-0.246
H4	-0.888	-0.073	1.161
H5	0.888	0.073	1.161
H6	-0.797	1.147	-0.787
H7	0.797	-1.147	-0.787

	C1	O2	O3	H4	H5	H6	H7
C1		1.3985	1.3985	1.0902	1.0902	1.9217	1.9217
O2	1.3985		2.3241	2.0718	1.9883	0.9639	2.5023
O3	1.3985	2.3241		1.9883	2.0718	2.5023	0.9639
H4	1.0902	2.0718	1.9883		1.7814	2.3005	2.7909
H5	1.0902	1.9883	2.0718	1.7814		2.7909	2.3005
H6	1.9217	0.9639	2.5023	2.3005	2.7909		2.7944
H7	1.9217	2.5023	0.9639	2.7909	2.3005	2.7944

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	107.442	C1	O3	H7	107.442
O2	C1	O3	112.383	O2	C1	H4	112.114
O2	C1	H5	105.382	O3	C1	H4	105.382
O3	C1	H5	112.114	H4	C1	H5	109.572

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

using model chemistry: CID/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: CID/6-31G*

States and conformations

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