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	hartrees
Energy at 0K	-190.397607
Energy at 298.15K	-190.402930
HF Energy	-189.898134
Nuclear repulsion energy	81.330834

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3765	3547	25.27
2	A	3116	2935	58.28
3	A	1599	1507	1.60
4	A	1432	1349	4.06
5	A	1241	1169	1.19
6	A	1069	1007	114.60
7	A	587	553	107.67
8	A	418	394	36.44
9	B	3763	3546	39.42
10	B	3180	2997	55.83
11	B	1493	1407	79.87
12	B	1410	1328	26.51
13	B	1125	1060	228.52
14	B	1042	982	22.14
15	B	423	398	218.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.535
O2	0.000	1.171	-0.247
O3	0.000	-1.171	-0.247
H4	-0.892	-0.080	1.163
H5	0.892	0.080	1.163
H6	-0.806	1.141	-0.791
H7	0.806	-1.141	-0.791

	C1	O2	O3	H4	H5	H6	H7
C1		1.4084	1.4084	1.0940	1.0940	1.9260	1.9260
O2	1.4084		2.3428	2.0861	1.9937	0.9731	2.5084
O3	1.4084	2.3428		1.9937	2.0861	2.5084	0.9731
H4	1.0940	2.0861	1.9937		1.7909	2.3062	2.7977
H5	1.0940	1.9937	2.0861	1.7909		2.7977	2.3062
H6	1.9260	0.9731	2.5084	2.3062	2.7977		2.7937
H7	1.9260	2.5084	0.9731	2.7977	2.3062	2.7937

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	106.509	C1	O3	H7	106.509
O2	C1	O3	112.550	O2	C1	H4	112.342
O2	C1	H5	104.937	O3	C1	H4	104.937
O3	C1	H5	112.342	H4	C1	H5	109.876

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G*

States and conformations

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