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	hartrees
Energy at 0K	-39.117542
Energy at 298.15K	-39.122862
HF Energy	-39.117542
Nuclear repulsion energy	48.468619

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4077	3675	29.06
2	A	3311	2984	92.84
3	A	1664	1500	1.21
4	A	1474	1329	3.89
5	A	1264	1139	2.07
6	A	1100	992	154.34
7	A	580	523	186.63
8	A	448	404	91.67
9	B	4076	3675	47.23
10	B	3390	3056	74.93
11	B	1565	1411	63.65
12	B	1444	1302	62.53
13	B	1163	1049	315.37
14	B	1062	957	31.58
15	B	370	333	295.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.548
O2	0.000	1.179	-0.252
O3	0.000	-1.179	-0.252
H4	-0.891	-0.070	1.159
H5	0.891	0.070	1.159
H6	-0.788	1.277	-0.786
H7	0.788	-1.277	-0.786

	C1	O2	O3	H4	H5	H6	H7
C1		1.4251	1.4251	1.0825	1.0825	2.0081	2.0081
O2	1.4251		2.3589	2.0845	2.0042	0.9572	2.6348
O3	1.4251	2.3589		2.0042	2.0845	2.6348	0.9572
H4	1.0825	2.0845	2.0042		1.7867	2.3684	2.8394
H5	1.0825	2.0042	2.0845	1.7867		2.8394	2.3684
H6	2.0081	0.9572	2.6348	2.3684	2.8394		3.0019
H7	2.0081	2.6348	0.9572	2.8394	2.3684	3.0019

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	113.440	C1	O3	H7	113.440
O2	C1	O3	111.710	O2	C1	H4	111.729
O2	C1	H5	105.293	O3	C1	H4	105.293
O3	C1	H5	111.729	H4	C1	H5	111.230

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

using model chemistry: HF/CEP-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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Number	Element	Mulliken
1	C	-0.031
2	O	-0.536
3	O	-0.536
4	H	0.167
5	H	0.167
6	H	0.384
7	H	0.384

	x	y	z	Total
	0.000	0.000	0.102	0.102
CHELPG
AIM
ESP

	x	y	z
x	2.389	-0.142	0.000
y	-0.142	2.459	0.000
z	0.000	0.000	2.381

<r²>	40.219
(<r²>)^1/2	6.342

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

using model chemistry: HF/CEP-31G

States and conformations

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