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	hartrees
Energy at 0K	-190.677597
Energy at 298.15K	-190.682835
HF Energy	-189.993281
Nuclear repulsion energy	81.760650

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3882	3715	31.11
2	A	3081	2949	49.33
3	A	1563	1496	0.27
4	A	1419	1358	3.52
5	A	1232	1179	1.05
6	A	1075	1029	98.50
7	A	570	546	65.30
8	A	384	368	58.50
9	B	3880	3714	52.91
10	B	3134	2999	32.82
11	B	1476	1412	62.02
12	B	1399	1339	31.67
13	B	1129	1081	237.46
14	B	1028	984	23.82
15	B	361	345	164.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.531
O2	0.000	1.165	-0.247
O3	0.000	-1.165	-0.247
H4	-0.890	-0.068	1.157
H5	0.890	0.068	1.157
H6	-0.804	1.170	-0.771
H7	0.804	-1.170	-0.771

	C1	O2	O3	H4	H5	H6	H7
C1		1.4010	1.4010	1.0900	1.0900	1.9259	1.9259
O2	1.4010		2.3305	2.0698	1.9913	0.9594	2.5246
O3	1.4010	2.3305		1.9913	2.0698	2.5246	0.9594
H4	1.0900	2.0698	1.9913		1.7846	2.2929	2.7924
H5	1.0900	1.9913	2.0698	1.7846		2.7924	2.2929
H6	1.9259	0.9594	2.5246	2.2929	2.7924		2.8388
H7	1.9259	2.5246	0.9594	2.7924	2.2929	2.8388

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	107.895	C1	O3	H7	107.895
O2	C1	O3	112.558	O2	C1	H4	111.782
O2	C1	H5	105.466	O3	C1	H4	105.466
O3	C1	H5	111.782	H4	C1	H5	109.886

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

using model chemistry: CCD/aug-cc-pVTZ

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: CCD/aug-cc-pVTZ

States and conformations

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