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	hartrees
Energy at 0K	-190.595238
Energy at 298.15K	-190.600587
HF Energy	-189.984094
Nuclear repulsion energy	81.609224

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3852	3670	31.42
2	A	3110	2963	57.47
3	A	1563	1489	1.56
4	A	1425	1357	3.01
5	A	1236	1178	2.17
6	A	1061	1010	111.31
7	A	597	569	97.99
8	A	425	405	35.48
9	B	3851	3669	45.87
10	B	3177	3026	40.72
11	B	1500	1429	64.37
12	B	1391	1325	23.13
13	B	1097	1045	257.36
14	B	1050	1000	4.15
15	B	421	401	203.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.535
O2	0.000	1.168	-0.247
O3	0.000	-1.168	-0.247
H4	-0.890	-0.077	1.158
H5	0.890	0.077	1.158
H6	-0.798	1.137	-0.788
H7	0.798	-1.137	-0.788

	C1	O2	O3	H4	H5	H6	H7
C1		1.4056	1.4056	1.0892	1.0892	1.9187	1.9187
O2	1.4056		2.3356	2.0774	1.9894	0.9644	2.4984
O3	1.4056	2.3356		1.9894	2.0774	2.4984	0.9644
H4	1.0892	2.0774	1.9894		1.7871	2.2958	2.7861
H5	1.0892	1.9894	2.0774	1.7871		2.7861	2.2958
H6	1.9187	0.9644	2.4984	2.2958	2.7861		2.7780
H7	1.9187	2.4984	0.9644	2.7861	2.2958	2.7780

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	106.623	C1	O3	H7	106.623
O2	C1	O3	112.363	O2	C1	H4	112.131
O2	C1	H5	105.057	O3	C1	H4	105.057
O3	C1	H5	112.131	H4	C1	H5	110.247

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

using model chemistry: MP2=FULL/TZVP

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/TZVP

States and conformations

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