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	hartrees
Energy at 0K	-190.790731
Energy at 298.15K	-190.796071
HF Energy	-190.790731
Nuclear repulsion energy	80.445728

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3728	3728	13.83
2	A	3119	3119	46.33
3	A	1567	1567	0.22
4	A	1401	1401	3.23
5	A	1213	1213	0.46
6	A	1034	1034	124.97
7	A	579	579	188.89
8	A	442	442	29.17
9	B	3728	3728	22.72
10	B	3181	3181	42.54
11	B	1464	1464	37.74
12	B	1376	1376	35.14
13	B	1091	1091	222.68
14	B	1007	1007	49.30
15	B	438	438	264.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.542
O2	0.000	1.184	-0.250
O3	0.000	-1.184	-0.250
H4	-0.892	-0.082	1.164
H5	0.892	0.082	1.164
H6	-0.809	1.239	-0.792
H7	0.809	-1.239	-0.792

	C1	O2	O3	H4	H5	H6	H7
C1		1.4247	1.4247	1.0907	1.0907	1.9925	1.9925
O2	1.4247		2.3687	2.0974	2.0025	0.9755	2.6122
O3	1.4247	2.3687		2.0025	2.0974	2.6122	0.9755
H4	1.0907	2.0974	2.0025		1.7918	2.3619	2.8389
H5	1.0907	2.0025	2.0974	1.7918		2.8389	2.3619
H6	1.9925	0.9755	2.6122	2.3619	2.8389		2.9605
H7	1.9925	2.6122	0.9755	2.8389	2.3619	2.9605

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	110.837	C1	O3	H7	110.837
O2	C1	O3	112.469	O2	C1	H4	112.310
O2	C1	H5	104.737	O3	C1	H4	104.737
O3	C1	H5	112.310	H4	C1	H5	110.449

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

using model chemistry: M06-2X/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	0.149
2	O	-0.632
3	O	-0.632
4	H	0.174
5	H	0.174
6	H	0.384
7	H	0.384

	x	y	z	Total
	0.000	0.000	-0.152	0.152
CHELPG
AIM
ESP

	x	y	z
x	2.611	-0.170	0.000
y	-0.170	2.661	0.000
z	0.000	0.000	2.562

<r²>	46.520
(<r²>)^1/2	6.821

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

using model chemistry: M06-2X/6-31G

States and conformations

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