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	hartrees
Energy at 0K	-190.928898
Energy at 298.15K	-190.934191
HF Energy	-190.928898
Nuclear repulsion energy	81.968934

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3871	3716	23.13
2	A	3047	2926	71.18
3	A	1534	1473	0.75
4	A	1407	1351	3.57
5	A	1220	1172	0.64
6	A	1069	1027	111.02
7	A	582	559	90.66
8	A	400	384	41.25
9	B	3870	3716	40.08
10	B	3095	2972	60.19
11	B	1464	1405	69.66
12	B	1378	1323	26.99
13	B	1114	1069	247.24
14	B	1025	984	16.85
15	B	403	387	194.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.527
O2	0.000	1.163	-0.245
O3	0.000	-1.163	-0.245
H4	-0.889	-0.077	1.159
H5	0.889	0.077	1.159
H6	-0.797	1.150	-0.779
H7	0.797	-1.150	-0.779

	C1	O2	O3	H4	H5	H6	H7
C1		1.3959	1.3959	1.0930	1.0930	1.9143	1.9143
O2	1.3959		2.3251	2.0733	1.9850	0.9594	2.5038
O3	1.3959	2.3251		1.9850	2.0733	2.5038	0.9594
H4	1.0930	2.0733	1.9850		1.7840	2.2955	2.7837
H5	1.0930	1.9850	2.0733	1.7840		2.7837	2.2955
H6	1.9143	0.9594	2.5038	2.2955	2.7837		2.7991
H7	1.9143	2.5038	0.9594	2.7837	2.2955	2.7991

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	107.281	C1	O3	H7	107.281
O2	C1	O3	112.777	O2	C1	H4	112.251
O2	C1	H5	105.138	O3	C1	H4	105.138
O3	C1	H5	112.251	H4	C1	H5	109.395

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

using model chemistry: B1B95/6-311G**

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	0.103
2	O	-0.397
3	O	-0.397
4	H	0.109
5	H	0.109
6	H	0.237
7	H	0.237

	x	y	z	Total
	0.000	0.000	-0.253	0.253
CHELPG
AIM
ESP

	x	y	z
x	2.905	-0.164	0.000
y	-0.164	2.996	0.000
z	0.000	0.000	2.992

<r²>	44.867
(<r²>)^1/2	6.698

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

using model chemistry: B1B95/6-311G**

States and conformations

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