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	hartrees
Energy at 0K	-190.915475
Energy at 298.15K	-190.920745
HF Energy	-190.915475
Nuclear repulsion energy	81.647910

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3877	3690	27.52
2	A	3074	2926	60.02
3	A	1537	1463	0.39
4	A	1394	1327	3.28
5	A	1210	1152	0.99
6	A	1067	1016	109.29
7	A	573	545	93.61
8	A	408	389	57.46
9	B	3876	3689	50.85
10	B	3131	2980	44.21
11	B	1457	1387	66.31
12	B	1370	1304	28.52
13	B	1106	1052	282.12
14	B	1011	962	19.52
15	B	392	373	209.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.528
O2	0.000	1.167	-0.246
O3	0.000	-1.167	-0.246
H4	-0.892	-0.074	1.157
H5	0.892	0.074	1.157
H6	-0.808	1.183	-0.771
H7	0.808	-1.183	-0.771

	C1	O2	O3	H4	H5	H6	H7
C1		1.4005	1.4005	1.0944	1.0944	1.9333	1.9333
O2	1.4005		2.3338	2.0754	1.9902	0.9632	2.5393
O3	1.4005	2.3338		1.9902	2.0754	2.5393	0.9632
H4	1.0944	2.0754	1.9902		1.7906	2.3030	2.7994
H5	1.0944	1.9902	2.0754	1.7906		2.7994	2.3030
H6	1.9333	0.9632	2.5393	2.3030	2.7994		2.8645
H7	1.9333	2.5393	0.9632	2.7994	2.3030	2.8645

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	108.328	C1	O3	H7	108.328
O2	C1	O3	112.863	O2	C1	H4	111.993
O2	C1	H5	105.162	O3	C1	H4	105.162
O3	C1	H5	111.993	H4	C1	H5	109.779

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

using model chemistry: mPW1PW91/6-31+G**

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	0.046
2	O	-0.528
3	O	-0.528
4	H	0.146
5	H	0.146
6	H	0.358
7	H	0.358

	x	y	z	Total
	0.000	0.000	-0.128	0.128
CHELPG
AIM
ESP

	x	y	z
x	3.170	-0.117	0.000
y	-0.117	3.550	0.000
z	0.000	0.000	3.359

<r²>	45.535
(<r²>)^1/2	6.748

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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