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	hartrees
Energy at 0K	-190.540921
Energy at 298.15K	-190.546109
HF Energy	-189.942907
Nuclear repulsion energy	80.665398

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3728	3641
2	A	3061	2991
3	A	1578	1541
4	A	1425	1392
5	A	1229	1201
6	A	1057	1033
7	A	579	566
8	A	409	400
9	B	3727	3641
10	B	3119	3047
11	B	1479	1445
12	B	1403	1371
13	B	1114	1088
14	B	1032	1008
15	B	416	406

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.538
O2	0.000	1.183	-0.250
O3	0.000	-1.183	-0.250
H4	-0.904	-0.077	1.168
H5	0.904	0.077	1.168
H6	-0.812	1.172	-0.780
H7	0.812	-1.172	-0.780

	C1	O2	O3	H4	H5	H6	H7
C1		1.4219	1.4219	1.1041	1.1041	1.9423	1.9423
O2	1.4219		2.3660	2.1013	2.0133	0.9695	2.5471
O3	1.4219	2.3660		2.0133	2.1013	2.5471	0.9695
H4	1.1041	2.1013	2.0133		1.8137	2.3163	2.8179
H5	1.1041	2.0133	2.1013	1.8137		2.8179	2.3163
H6	1.9423	0.9695	2.5471	2.3163	2.8179		2.8518
H7	1.9423	2.5471	0.9695	2.8179	2.3163	2.8518

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	107.106	C1	O3	H7	107.106
O2	C1	O3	112.614	O2	C1	H4	111.969
O2	C1	H5	104.996	O3	C1	H4	104.996
O3	C1	H5	111.969	H4	C1	H5	110.442

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

using model chemistry: MP4/aug-cc-pVDZ

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

using model chemistry: MP4/aug-cc-pVDZ

States and conformations

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