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	hartrees
Energy at 0K	-190.015266
Energy at 298.15K	-190.020493
HF Energy	-190.015266
Nuclear repulsion energy	82.027926

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3710	3651	16.63
2	A	2916	2869	64.32
3	A	1455	1431	0.05
4	A	1353	1331	2.51
5	A	1179	1160	0.24
6	A	1049	1032	93.34
7	A	581	571	71.67
8	A	371	365	33.96
9	B	3710	3651	27.76
10	B	2959	2911	49.83
11	B	1388	1365	68.46
12	B	1327	1306	18.65
13	B	1116	1098	204.97
14	B	987	971	29.26
15	B	397	391	180.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.523
O2	0.000	1.157	-0.243
O3	0.000	-1.157	-0.243
H4	-0.897	-0.088	1.172
H5	0.897	0.088	1.172
H6	-0.802	1.127	-0.794
H7	0.802	-1.127	-0.794

	C1	O2	O3	H4	H5	H6	H7
C1		1.3879	1.3879	1.1106	1.1106	1.9095	1.9095
O2	1.3879		2.3143	2.0877	1.9874	0.9732	2.4822
O3	1.3879	2.3143		1.9874	2.0877	2.4822	0.9732
H4	1.1106	2.0877	1.9874		1.8025	2.3129	2.7979
H5	1.1106	1.9874	2.0877	1.8025		2.7979	2.3129
H6	1.9095	0.9732	2.4822	2.3129	2.7979		2.7656
H7	1.9095	2.4822	0.9732	2.7979	2.3129	2.7656

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	106.624	C1	O3	H7	106.624
O2	C1	O3	112.978	O2	C1	H4	112.889
O2	C1	H5	104.850	O3	C1	H4	104.850
O3	C1	H5	112.889	H4	C1	H5	108.486

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

using model chemistry: LSDA/6-31G(2df,p)

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	-0.128
2	O	-0.367
3	O	-0.367
4	H	0.127
5	H	0.127
6	H	0.303
7	H	0.303

	x	y	z	Total
	0.000	0.000	-0.499	0.499
CHELPG
AIM
ESP

	x	y	z
x	3.141	-0.186	0.000
y	-0.186	3.167	0.000
z	0.000	0.000	3.256

<r²>	44.604
(<r²>)^1/2	6.679

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

using model chemistry: LSDA/6-31G(2df,p)

States and conformations

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