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	hartrees
Energy at 0K	-190.564607
Energy at 298.15K	-190.569889
HF Energy	-189.928485
Nuclear repulsion energy	81.837173

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3887	3682	22.73
2	A	3080	2918	53.67
3	A	1569	1487	0.98
4	A	1437	1362	4.56
5	A	1243	1177	1.03
6	A	1077	1021	98.55
7	A	577	547	75.07
8	A	392	372	44.42
9	B	3886	3681	39.16
10	B	3130	2966	48.42
11	B	1489	1411	76.43
12	B	1414	1340	26.50
13	B	1143	1083	199.22
14	B	1039	984	25.08
15	B	394	374	174.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.530
O2	0.000	1.164	-0.247
O3	0.000	-1.164	-0.247
H4	-0.890	-0.074	1.162
H5	0.890	0.074	1.162
H6	-0.801	1.143	-0.775
H7	0.801	-1.143	-0.775

	C1	O2	O3	H4	H5	H6	H7
C1		1.3996	1.3996	1.0945	1.0945	1.9105	1.9105
O2	1.3996		2.3283	2.0766	1.9915	0.9597	2.4983
O3	1.3996	2.3283		1.9915	2.0766	2.4983	0.9597
H4	1.0945	2.0766	1.9915		1.7867	2.2894	2.7846
H5	1.0945	1.9915	2.0766	1.7867		2.7846	2.2894
H6	1.9105	0.9597	2.4983	2.2894	2.7846		2.7909
H7	1.9105	2.4983	0.9597	2.7846	2.2894	2.7909

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	106.656	C1	O3	H7	106.656
O2	C1	O3	112.564	O2	C1	H4	112.160
O2	C1	H5	105.316	O3	C1	H4	105.316
O3	C1	H5	112.160	H4	C1	H5	109.425

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

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

States and conformations

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