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	hartrees
Energy at 0K	-190.866561
Energy at 298.15K	-190.871807
HF Energy	-190.866561
Nuclear repulsion energy	81.798750

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3884	3691	25.57
2	A	3077	2925	67.58
3	A	1550	1473	2.02
4	A	1404	1334	3.31
5	A	1221	1161	0.08
6	A	1084	1030	117.51
7	A	579	551	90.66
8	A	387	368	49.34
9	B	3883	3691	42.39
10	B	3127	2972	65.58
11	B	1471	1398	82.05
12	B	1377	1309	37.86
13	B	1151	1094	221.11
14	B	1017	967	31.78
15	B	376	357	207.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.531
O2	0.000	1.163	-0.246
O3	0.000	-1.163	-0.246
H4	-0.891	-0.074	1.165
H5	0.891	0.074	1.165
H6	-0.798	1.144	-0.788
H7	0.798	-1.144	-0.788

	C1	O2	O3	H4	H5	H6	H7
C1		1.3984	1.3984	1.0963	1.0963	1.9199	1.9199
O2	1.3984		2.3255	2.0775	1.9926	0.9649	2.5008
O3	1.3984	2.3255		1.9926	2.0775	2.5008	0.9649
H4	1.0963	2.0775	1.9926		1.7883	2.3039	2.7952
H5	1.0963	1.9926	2.0775	1.7883		2.7952	2.3039
H6	1.9199	0.9649	2.5008	2.3039	2.7952		2.7908
H7	1.9199	2.5008	0.9649	2.7952	2.3039	2.7908

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	107.224	C1	O3	H7	107.224
O2	C1	O3	112.495	O2	C1	H4	112.200
O2	C1	H5	105.371	O3	C1	H4	105.371
O3	C1	H5	112.200	H4	C1	H5	109.300

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

using model chemistry: M06-2X/6-31G**

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	0.229
2	O	-0.561
3	O	-0.561
4	H	0.117
5	H	0.117
6	H	0.329
7	H	0.329

	x	y	z	Total
	0.000	0.000	-0.324	0.324
CHELPG
AIM
ESP

	x	y	z
x	2.819	-0.129	0.000
y	-0.129	2.747	0.000
z	0.000	0.000	2.840

<r²>	44.915
(<r²>)^1/2	6.702

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

using model chemistry: M06-2X/6-31G**

States and conformations

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