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	hartrees
Energy at 0K	-190.908302
Energy at 298.15K	-190.913477
HF Energy	-190.908302
Nuclear repulsion energy	80.590493

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3640	3620	6.85
2	A	2922	2906	67.55
3	A	1481	1473	0.79
4	A	1368	1361	3.02
5	A	1174	1167	1.96
6	A	982	976	82.00
7	A	545	542	61.39
8	A	371	369	36.39
9	B	3640	3620	12.52
10	B	2964	2948	59.28
11	B	1413	1405	65.36
12	B	1342	1335	19.26
13	B	1004	998	227.58
14	B	986	980	1.64
15	B	395	392	155.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.533
O2	0.000	1.187	-0.248
O3	0.000	-1.187	-0.248
H4	-0.899	-0.086	1.171
H5	0.899	0.086	1.171
H6	-0.813	1.164	-0.785
H7	0.813	-1.164	-0.785

	C1	O2	O3	H4	H5	H6	H7
C1		1.4211	1.4211	1.1057	1.1057	1.9380	1.9380
O2	1.4211		2.3735	2.1081	2.0084	0.9751	2.5448
O3	1.4211	2.3735		2.0084	2.1081	2.5448	0.9751
H4	1.1057	2.1081	2.0084		1.8065	2.3235	2.8146
H5	1.1057	2.0084	2.1081	1.8065		2.8146	2.3235
H6	1.9380	0.9751	2.5448	2.3235	2.8146		2.8400
H7	1.9380	2.5448	0.9751	2.8146	2.3235	2.8400

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	106.465	C1	O3	H7	106.465
O2	C1	O3	113.259	O2	C1	H4	112.488
O2	C1	H5	104.595	O3	C1	H4	104.595
O3	C1	H5	112.488	H4	C1	H5	109.557

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

using model chemistry: BLYP/6-31G(2df,p)

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	-0.010
2	O	-0.347
3	O	-0.347
4	H	0.089
5	H	0.089
6	H	0.263
7	H	0.263

	x	y	z	Total
	0.000	0.000	-0.338	0.338
CHELPG
AIM
ESP

	x	y	z
x	3.144	-0.211	0.000
y	-0.211	3.286	0.000
z	0.000	0.000	3.227

<r²>	46.047
(<r²>)^1/2	6.786

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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