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	hartrees
Energy at 0K	-189.924462
Energy at 298.15K	-189.929721
HF Energy	-189.924462
Nuclear repulsion energy	80.407528

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3534	3462	3.95
2	A	2986	2925	58.40
3	A	1492	1461	0.06
4	A	1345	1318	2.46
5	A	1170	1146	0.56
6	A	995	975	116.02
7	A	568	556	154.28
8	A	407	398	34.15
9	B	3536	3464	8.24
10	B	3043	2981	45.88
11	B	1397	1369	26.79
12	B	1325	1298	21.55
13	B	1043	1022	231.67
14	B	974	955	55.98
15	B	432	423	259.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.533
O2	0.000	1.185	-0.247
O3	0.000	-1.185	-0.247
H4	-0.898	-0.098	1.170
H5	0.898	0.098	1.170
H6	-0.824	1.223	-0.793
H7	0.824	-1.223	-0.793

	C1	O2	O3	H4	H5	H6	H7
C1		1.4184	1.4184	1.1051	1.1051	1.9832	1.9832
O2	1.4184		2.3694	2.1113	1.9987	0.9894	2.6027
O3	1.4184	2.3694		1.9987	2.1113	2.6027	0.9894
H4	1.1051	2.1113	1.9987		1.8062	2.3671	2.8433
H5	1.1051	1.9987	2.1113	1.8062		2.8433	2.3671
H6	1.9832	0.9894	2.6027	2.3671	2.8433		2.9491
H7	1.9832	2.6027	0.9894	2.8433	2.3671	2.9491

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	109.625	C1	O3	H7	109.625
O2	C1	O3	113.289	O2	C1	H4	112.999
O2	C1	H5	104.064	O3	C1	H4	104.064
O3	C1	H5	112.999	H4	C1	H5	109.620

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

using model chemistry: LSDA/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	-0.003
2	O	-0.556
3	O	-0.556
4	H	0.184
5	H	0.184
6	H	0.374
7	H	0.374

	x	y	z	Total
	0.000	0.000	-0.356	0.356
CHELPG
AIM
ESP

	x	y	z
x	2.821	-0.220	0.000
y	-0.220	2.942	0.000
z	0.000	0.000	2.787

<r²>	46.468
(<r²>)^1/2	6.817

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

using model chemistry: LSDA/6-31G

States and conformations

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