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	hartrees
Energy at 0K	-190.421072
Energy at 298.15K	-190.426369
HF Energy	-189.897494
Nuclear repulsion energy	81.127476

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3718	3566
2	A	3055	2930
3	A	1577	1512
4	A	1426	1368
5	A	1230	1180
6	A	1060	1016
7	A	580	556
8	A	410	393
9	B	3717	3566
10	B	3109	2982
11	B	1480	1420
12	B	1405	1347
13	B	1118	1072
14	B	1032	990
15	B	416	399

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.537
O2	0.000	1.173	-0.248
O3	0.000	-1.173	-0.248
H4	-0.895	-0.080	1.169
H5	0.895	0.080	1.169
H6	-0.808	1.141	-0.793
H7	0.808	-1.141	-0.793

	C1	O2	O3	H4	H5	H6	H7
C1		1.4120	1.4120	1.0988	1.0988	1.9297	1.9297
O2	1.4120		2.3469	2.0931	2.0017	0.9750	2.5109
O3	1.4120	2.3469		2.0017	2.0931	2.5109	0.9750
H4	1.0988	2.0931	2.0017		1.7979	2.3126	2.8066
H5	1.0988	2.0017	2.0931	1.7979		2.8066	2.3126
H6	1.9297	0.9750	2.5109	2.3126	2.8066		2.7955
H7	1.9297	2.5109	0.9750	2.8066	2.3126	2.7955

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	106.441	C1	O3	H7	106.441
O2	C1	O3	112.409	O2	C1	H4	112.346
O2	C1	H5	105.043	O3	C1	H4	105.043
O3	C1	H5	112.346	H4	C1	H5	109.790

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

using model chemistry: QCISD(T)/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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All results from a given calculation for CH2(OH)2 (methanediol)

using model chemistry: QCISD(T)/6-31G*

States and conformations

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