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	hartrees
Energy at 0K	-188.265637
Energy at 298.15K	-188.270586
HF Energy	-188.265637
Nuclear repulsion energy	77.217344

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3479	3219	23.03
2	A	3090	2859	31.19
3	A	1581	1463	0.90
4	A	1511	1398	0.96
5	A	1200	1110	1.17
6	A	983	909	20.29
7	A	500	463	60.96
8	A	371	343	12.18
9	B	3483	3223	74.09
10	B	3197	2957	13.21
11	B	1536	1421	35.09
12	B	1402	1297	16.52
13	B	1028	951	66.56
14	B	981	908	9.73
15	B	400	370	91.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.554
O2	0.000	1.244	-0.261
O3	0.000	-1.244	-0.261
H4	-0.913	-0.099	1.209
H5	0.913	0.099	1.209
H6	-0.899	1.135	-0.784
H7	0.899	-1.135	-0.784

	C1	O2	O3	H4	H5	H6	H7
C1		1.4870	1.4870	1.1283	1.1283	1.9712	1.9712
O2	1.4870		2.4882	2.1904	2.0747	1.0458	2.5962
O3	1.4870	2.4882		2.0747	2.1904	2.5962	1.0458
H4	1.1283	2.1904	2.0747		1.8374	2.3441	2.8858
H5	1.1283	2.0747	2.1904	1.8374		2.8858	2.3441
H6	1.9712	1.0458	2.5962	2.3441	2.8858		2.8948
H7	1.9712	2.5962	1.0458	2.8858	2.3441	2.8948

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	100.760	C1	O3	H7	100.760
O2	C1	O3	113.578	O2	C1	H4	113.048
O2	C1	H5	104.147	O3	C1	H4	104.147
O3	C1	H5	113.048	H4	C1	H5	109.028

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

using model chemistry: BLYP/STO-3G

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	0.005
2	O	-0.224
3	O	-0.224
4	H	0.065
5	H	0.065
6	H	0.157
7	H	0.157

	x	y	z	Total
	0.000	0.000	-0.181	0.181
CHELPG
AIM
ESP

	x	y	z
x	1.804	-0.227	0.000
y	-0.227	1.872	0.000
z	0.000	0.000	1.685

<r²>	48.077
(<r²>)^1/2	6.934

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

using model chemistry: BLYP/STO-3G

States and conformations

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