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	hartrees
Energy at 0K	-190.959614
Energy at 298.15K	-190.964837
HF Energy	-190.959614
Nuclear repulsion energy	81.371680

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3764	3632	12.58
2	A	3010	2905	67.17
3	A	1537	1483	1.17
4	A	1405	1356	2.95
5	A	1206	1164	0.87
6	A	1031	995	92.75
7	A	560	540	68.72
8	A	378	364	38.92
9	B	3763	3632	22.24
10	B	3058	2951	60.72
11	B	1454	1403	68.76
12	B	1377	1328	22.29
13	B	1069	1031	223.71
14	B	1010	975	15.83
15	B	392	378	165.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.524
O2	0.000	1.176	-0.244
O3	0.000	-1.176	-0.244
H4	-0.891	-0.084	1.160
H5	0.891	0.084	1.160
H6	-0.799	1.162	-0.783
H7	0.799	-1.162	-0.783

	C1	O2	O3	H4	H5	H6	H7
C1		1.4041	1.4041	1.0978	1.0978	1.9232	1.9232
O2	1.4041		2.3513	2.0858	1.9892	0.9644	2.5291
O3	1.4041	2.3513		1.9892	2.0858	2.5291	0.9644
H4	1.0978	2.0858	1.9892		1.7892	2.3105	2.7923
H5	1.0978	1.9892	2.0858	1.7892		2.7923	2.3105
H6	1.9232	0.9644	2.5291	2.3105	2.7923		2.8215
H7	1.9232	2.5291	0.9644	2.7923	2.3105	2.8215

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	107.119	C1	O3	H7	107.119
O2	C1	O3	113.711	O2	C1	H4	112.381
O2	C1	H5	104.658	O3	C1	H4	104.658
O3	C1	H5	112.381	H4	C1	H5	109.153

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

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

States and conformations

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