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	hartrees
Energy at 0K	-189.162115
Energy at 298.15K	-189.167393
HF Energy	-188.845209
Nuclear repulsion energy	79.779035

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3612	3375	1.68
2	A	3116	2911	54.05
3	A	1632	1525	2.34
4	A	1458	1363	3.79
5	A	1253	1171	2.04
6	A	1007	941	114.71
7	A	576	538	148.78
8	A	403	376	26.71
9	B	3610	3373	3.28
10	B	3159	2952	59.75
11	B	1502	1403	55.43
12	B	1427	1333	27.76
13	B	1083	1012	149.54
14	B	1032	964	52.88
15	B	403	376	241.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.546
O2	0.000	1.200	-0.250
O3	0.000	-1.200	-0.250
H4	-0.889	-0.089	1.173
H5	0.889	0.089	1.173
H6	-0.811	1.195	-0.811
H7	0.811	-1.195	-0.811

	C1	O2	O3	H4	H5	H6	H7
C1		1.4402	1.4402	1.0911	1.0911	1.9819	1.9819
O2	1.4402		2.3995	2.1160	2.0124	0.9858	2.5895
O3	1.4402	2.3995		2.0124	2.1160	2.5895	0.9858
H4	1.0911	2.1160	2.0124		1.7860	2.3651	2.8370
H5	1.0911	2.0124	2.1160	1.7860		2.8370	2.3651
H6	1.9819	0.9858	2.5895	2.3651	2.8370		2.8874
H7	1.9819	2.5895	0.9858	2.8370	2.3651	2.8874

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	108.096	C1	O3	H7	108.096
O2	C1	O3	112.827	O2	C1	H4	112.701
O2	C1	H5	104.468	O3	C1	H4	104.468
O3	C1	H5	112.701	H4	C1	H5	109.853

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

using model chemistry: CISD/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: CISD/3-21G*

States and conformations

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