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	hartrees
Energy at 0K	-188.134838
Energy at 298.15K	-188.139843
HF Energy	-188.134838
Nuclear repulsion energy	77.840514

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3559	3251	17.39
2	A	3128	2858	30.74
3	A	1588	1451	0.46
4	A	1525	1393	1.15
5	A	1216	1111	0.93
6	A	1013	926	22.50
7	A	516	472	64.98
8	A	379	346	13.82
9	B	3562	3254	61.37
10	B	3234	2955	12.32
11	B	1549	1415	37.61
12	B	1418	1296	16.55
13	B	1070	978	72.75
14	B	994	908	9.55
15	B	412	377	98.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.547
O2	0.000	1.233	-0.258
O3	0.000	-1.233	-0.258
H4	-0.910	-0.101	1.203
H5	0.910	0.101	1.203
H6	-0.894	1.126	-0.777
H7	0.894	-1.126	-0.777

	C1	O2	O3	H4	H5	H6	H7
C1		1.4728	1.4728	1.1262	1.1262	1.9544	1.9544
O2	1.4728		2.4665	2.1775	2.0605	1.0392	2.5755
O3	1.4728	2.4665		2.0605	2.1775	2.5755	1.0392
H4	1.1262	2.1775	2.0605		1.8310	2.3290	2.8680
H5	1.1262	2.0605	2.1775	1.8310		2.8680	2.3290
H6	1.9544	1.0392	2.5755	2.3290	2.8680		2.8750
H7	1.9544	2.5755	1.0392	2.8680	2.3290	2.8750

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	100.740	C1	O3	H7	100.740
O2	C1	O3	113.726	O2	C1	H4	113.150
O2	C1	H5	104.100	O3	C1	H4	104.100
O3	C1	H5	113.150	H4	C1	H5	108.758

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

using model chemistry: PBEPBE/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	-0.012
2	O	-0.230
3	O	-0.230
4	H	0.070
5	H	0.070
6	H	0.165
7	H	0.165

	x	y	z	Total
	0.000	0.000	-0.222	0.222
CHELPG
AIM
ESP

	x	y	z
x	1.751	-0.210	0.000
y	-0.210	1.808	0.000
z	0.000	0.000	1.627

<r²>	47.433
(<r²>)^1/2	6.887

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

using model chemistry: PBEPBE/STO-3G

States and conformations

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