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	hartrees
Energy at 0K	-190.966813
Energy at 298.15K	-190.972107
HF Energy	-190.966813
Nuclear repulsion energy	81.759708

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3883	3708	24.87
2	A	3056	2919	64.16
3	A	1526	1458	0.55
4	A	1406	1343	3.71
5	A	1226	1170	1.58
6	A	1064	1016	112.00
7	A	582	556	88.99
8	A	406	388	55.39
9	B	3883	3708	41.71
10	B	3109	2969	47.11
11	B	1472	1405	65.76
12	B	1380	1318	29.36
13	B	1097	1047	262.21
14	B	1025	979	14.81
15	B	399	381	199.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.525
O2	0.000	1.168	-0.244
O3	0.000	-1.168	-0.244
H4	-0.889	-0.074	1.158
H5	0.889	0.074	1.158
H6	-0.793	1.175	-0.784
H7	0.793	-1.175	-0.784

	C1	O2	O3	H4	H5	H6	H7
C1		1.3984	1.3984	1.0939	1.0939	1.9294	1.9294
O2	1.3984		2.3365	2.0730	1.9880	0.9594	2.5322
O3	1.3984	2.3365		1.9880	2.0730	2.5322	0.9594
H4	1.0939	2.0730	1.9880		1.7845	2.3105	2.7949
H5	1.0939	1.9880	2.0730	1.7845		2.7949	2.3105
H6	1.9294	0.9594	2.5322	2.3105	2.7949		2.8353
H7	1.9294	2.5322	0.9594	2.7949	2.3105	2.8353

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	108.387	C1	O3	H7	108.387
O2	C1	O3	113.320	O2	C1	H4	111.981
O2	C1	H5	105.162	O3	C1	H4	105.162
O3	C1	H5	111.981	H4	C1	H5	109.316

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

using model chemistry: wB97X-D/TZVP

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	0.022
2	O	-0.390
3	O	-0.390
4	H	0.107
5	H	0.107
6	H	0.272
7	H	0.272

	x	y	z	Total
	0.000	0.000	-0.182	0.182
CHELPG
AIM
ESP

	x	y	z
x	3.104	-0.126	0.000
y	-0.126	3.267	0.000
z	0.000	0.000	3.208

<r²>	45.285
(<r²>)^1/2	6.729

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

using model chemistry: wB97X-D/TZVP

States and conformations

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