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	hartrees
Energy at 0K	-190.933971
Energy at 298.15K	-190.939255
HF Energy	-190.933971
Nuclear repulsion energy	81.660178

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3841	3699	20.84
2	A	3026	2914	70.99
3	A	1526	1470	0.55
4	A	1402	1350	3.65
5	A	1215	1170	1.15
6	A	1054	1015	107.49
7	A	577	556	87.94
8	A	399	384	43.33
9	B	3841	3699	37.00
10	B	3073	2959	59.27
11	B	1457	1403	66.29
12	B	1374	1323	26.05
13	B	1091	1051	251.17
14	B	1021	983	12.63
15	B	404	389	192.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.528
O2	0.000	1.168	-0.246
O3	0.000	-1.168	-0.246
H4	-0.891	-0.078	1.161
H5	0.891	0.078	1.161
H6	-0.802	1.158	-0.778
H7	0.802	-1.158	-0.778

	C1	O2	O3	H4	H5	H6	H7
C1		1.4012	1.4012	1.0962	1.0962	1.9204	1.9204
O2	1.4012		2.3363	2.0803	1.9908	0.9621	2.5169
O3	1.4012	2.3363		1.9908	2.0803	2.5169	0.9621
H4	1.0962	2.0803	1.9908		1.7891	2.3012	2.7915
H5	1.0962	1.9908	2.0803	1.7891		2.7915	2.3012
H6	1.9204	0.9621	2.5169	2.3012	2.7915		2.8163
H7	1.9204	2.5169	0.9621	2.7915	2.3012	2.8163

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	107.232	C1	O3	H7	107.232
O2	C1	O3	112.954	O2	C1	H4	112.237
O2	C1	H5	105.064	O3	C1	H4	105.064
O3	C1	H5	112.237	H4	C1	H5	109.390

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

using model chemistry: B3PW91/6-311G**

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	0.112
2	O	-0.398
3	O	-0.398
4	H	0.107
5	H	0.107
6	H	0.235
7	H	0.235

	x	y	z	Total
	0.000	0.000	-0.249	0.249
CHELPG
AIM
ESP

	x	y	z
x	2.925	-0.168	0.000
y	-0.168	3.043	0.000
z	0.000	0.000	3.009

<r²>	45.165
(<r²>)^1/2	6.720

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

using model chemistry: B3PW91/6-311G**

States and conformations

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