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	hartrees
Energy at 0K	-190.758293
Energy at 298.15K	-190.763579
HF Energy	-190.758293
Nuclear repulsion energy	81.796995

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3860	3684	17.45
2	A	3043	2904	72.00
3	A	1544	1473	1.28
4	A	1410	1346	3.62
5	A	1224	1168	0.21
6	A	1073	1024	111.08
7	A	581	554	90.83
8	A	398	379	44.44
9	B	3860	3683	31.01
10	B	3093	2951	64.58
11	B	1466	1399	80.68
12	B	1387	1323	29.66
13	B	1130	1078	231.31
14	B	1022	975	25.63
15	B	407	389	198.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.526
O2	0.000	1.165	-0.245
O3	0.000	-1.165	-0.245
H4	-0.890	-0.079	1.164
H5	0.890	0.079	1.164
H6	-0.801	1.149	-0.781
H7	0.801	-1.149	-0.781

	C1	O2	O3	H4	H5	H6	H7
C1		1.3973	1.3973	1.0980	1.0980	1.9156	1.9156
O2	1.3973		2.3307	2.0798	1.9894	0.9640	2.5069
O3	1.3973	2.3307		1.9894	2.0798	2.5069	0.9640
H4	1.0980	2.0798	1.9894		1.7875	2.3016	2.7907
H5	1.0980	1.9894	2.0798	1.7875		2.7907	2.3016
H6	1.9156	0.9640	2.5069	2.3016	2.7907		2.8012
H7	1.9156	2.5069	0.9640	2.7907	2.3016	2.8012

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	107.005	C1	O3	H7	107.005
O2	C1	O3	113.023	O2	C1	H4	112.364
O2	C1	H5	105.106	O3	C1	H4	105.106
O3	C1	H5	112.364	H4	C1	H5	108.966

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

using model chemistry: HSEh1PBE/6-31G**

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	0.192
2	O	-0.537
3	O	-0.537
4	H	0.121
5	H	0.121
6	H	0.319
7	H	0.319

	x	y	z	Total
	0.000	0.000	-0.349	0.349
CHELPG
AIM
ESP

	x	y	z
x	2.821	-0.143	0.000
y	-0.143	2.807	0.000
z	0.000	0.000	2.847

<r²>	44.924
(<r²>)^1/2	6.703

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

using model chemistry: HSEh1PBE/6-31G**

States and conformations

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