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	hartrees
Energy at 0K	-188.935718
Energy at 298.15K	-188.940970
HF Energy	-188.935718
Nuclear repulsion energy	80.160549

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3378	3317	0.01
2	A	2931	2878	69.28
3	A	1512	1485	0.03
4	A	1374	1350	2.52
5	A	1183	1162	1.52
6	A	978	960	105.90
7	A	589	578	127.93
8	A	381	374	17.74
9	B	3381	3320	0.90
10	B	2969	2916	61.13
11	B	1394	1369	36.14
12	B	1346	1322	16.91
13	B	1049	1030	185.59
14	B	985	968	38.63
15	B	434	426	241.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.534
O2	0.000	1.190	-0.246
O3	0.000	-1.190	-0.246
H4	-0.893	-0.114	1.181
H5	0.893	0.114	1.181
H6	-0.828	1.160	-0.816
H7	0.828	-1.160	-0.816

	C1	O2	O3	H4	H5	H6	H7
C1		1.4222	1.4222	1.1088	1.1088	1.9632	1.9632
O2	1.4222		2.3793	2.1290	1.9971	1.0060	2.5562
O3	1.4222	2.3793		1.9971	2.1290	2.5562	1.0060
H4	1.1088	2.1290	1.9971		1.8008	2.3701	2.8363
H5	1.1088	1.9971	2.1290	1.8008		2.8363	2.3701
H6	1.9632	1.0060	2.5562	2.3701	2.8363		2.8511
H7	1.9632	2.5562	1.0060	2.8363	2.3701	2.8511

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	106.648	C1	O3	H7	106.648
O2	C1	O3	113.549	O2	C1	H4	113.959
O2	C1	H5	103.504	O3	C1	H4	103.504
O3	C1	H5	113.959	H4	C1	H5	108.585

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

using model chemistry: LSDA/3-21G*

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	-0.059
2	O	-0.524
3	O	-0.524
4	H	0.211
5	H	0.211
6	H	0.343
7	H	0.343

	x	y	z	Total
	0.000	0.000	-0.529	0.529
CHELPG
AIM
ESP

	x	y	z
x	2.665	-0.205	0.000
y	-0.205	2.644	0.000
z	0.000	0.000	2.686

<r²>	46.269
(<r²>)^1/2	6.802

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

using model chemistry: LSDA/3-21G*

States and conformations

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