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	hartrees
Energy at 0K	-190.021688
Energy at 298.15K	-190.026932
HF Energy	-190.021688
Nuclear repulsion energy	81.632690

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3712	3656	23.34
2	A	2959	2914	56.82
3	A	1457	1435	0.02
4	A	1330	1310	2.41
5	A	1166	1149	0.00
6	A	1046	1031	105.55
7	A	575	566	99.19
8	A	402	396	43.80
9	B	3712	3657	43.09
10	B	3011	2966	37.79
11	B	1381	1361	57.61
12	B	1307	1288	20.95
13	B	1093	1076	282.08
14	B	973	958	24.49
15	B	400	394	221.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.526
O2	0.000	1.163	-0.245
O3	0.000	-1.163	-0.245
H4	-0.900	-0.083	1.166
H5	0.900	0.083	1.166
H6	-0.816	1.169	-0.783
H7	0.816	-1.169	-0.783

	C1	O2	O3	H4	H5	H6	H7
C1		1.3949	1.3949	1.1075	1.1075	1.9353	1.9353
O2	1.3949		2.3251	2.0862	1.9915	0.9773	2.5282
O3	1.3949	2.3251		1.9915	2.0862	2.5282	0.9773
H4	1.1075	2.0862	1.9915		1.8078	2.3179	2.8146
H5	1.1075	1.9915	2.0862	1.8078		2.8146	2.3179
H6	1.9353	0.9773	2.5282	2.3179	2.8146		2.8513
H7	1.9353	2.5282	0.9773	2.8146	2.3179	2.8513

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	108.045	C1	O3	H7	108.045
O2	C1	O3	112.902	O2	C1	H4	112.445
O2	C1	H5	104.884	O3	C1	H4	104.884
O3	C1	H5	112.445	H4	C1	H5	109.406

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

using model chemistry: LSDA/6-31+G**

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	-0.053
2	O	-0.503
3	O	-0.503
4	H	0.164
5	H	0.164
6	H	0.366
7	H	0.366

	x	y	z	Total
	0.000	0.000	-0.239	0.239
CHELPG
AIM
ESP

	x	y	z
x	3.426	-0.139	0.000
y	-0.139	3.878	0.000
z	0.000	0.000	3.670

<r²>	45.610
(<r²>)^1/2	6.754

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

using model chemistry: LSDA/6-31+G**

States and conformations

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