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	hartrees
Energy at 0K	-189.159278
Energy at 298.15K	-189.164559
HF Energy	-188.845397
Nuclear repulsion energy	79.863416

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3628	3375	1.88
2	A	3121	2904	53.52
3	A	1634	1521	2.23
4	A	1461	1360	3.95
5	A	1256	1169	1.82
6	A	1013	942	115.33
7	A	576	536	149.40
8	A	405	377	27.66
9	B	3626	3374	3.49
10	B	3165	2945	59.24
11	B	1504	1400	55.18
12	B	1431	1331	28.70
13	B	1092	1016	147.45
14	B	1034	962	53.22
15	B	401	373	241.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.546
O2	0.000	1.198	-0.250
O3	0.000	-1.198	-0.250
H4	-0.888	-0.088	1.173
H5	0.888	0.088	1.173
H6	-0.809	1.194	-0.812
H7	0.809	-1.194	-0.812

	C1	O2	O3	H4	H5	H6	H7
C1		1.4384	1.4384	1.0909	1.0909	1.9808	1.9808
O2	1.4384		2.3962	2.1140	2.0116	0.9848	2.5868
O3	1.4384	2.3962		2.0116	2.1140	2.5868	0.9848
H4	1.0909	2.1140	2.0116		1.7850	2.3646	2.8361
H5	1.0909	2.0116	2.1140	1.7850		2.8361	2.3646
H6	1.9808	0.9848	2.5868	2.3646	2.8361		2.8839
H7	1.9808	2.5868	0.9848	2.8361	2.3646	2.8839

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	108.194	C1	O3	H7	108.194
O2	C1	O3	112.804	O2	C1	H4	112.674
O2	C1	H5	104.533	O3	C1	H4	104.533
O3	C1	H5	112.674	H4	C1	H5	109.793

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

using model chemistry: CID/3-21G*

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/3-21G*

States and conformations

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