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	hartrees
Energy at 0K	-226.914109
Energy at 298.15K	-226.919090
HF Energy	-226.479079
Nuclear repulsion energy	117.317439

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3433	3278	24.48
2	A'	3062	2924	48.36
3	A'	3042	2904	47.77
4	A'	1632	1559	9.35
5	A'	1593	1521	13.54
6	A'	1489	1421	110.66
7	A'	1440	1375	8.51
8	A'	1330	1270	48.23
9	A'	1050	1002	32.80
10	A'	839	801	42.87
11	A'	758	724	7.43
12	A'	320	305	21.93
13	A"	3087	2947	29.00
14	A"	1259	1203	7.97
15	A"	1151	1099	0.18
16	A"	804	767	0.09
17	A"	456	435	105.60
18	A"	187	178	9.96

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.973	0.000
C2	0.955	-0.221	0.000
O3	-1.377	0.497	0.000
O4	0.517	-1.396	0.000
H5	-1.293	-0.499	0.000
H6	0.209	1.586	0.888
H7	0.209	1.586	-0.888
H8	2.029	0.008	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5284	1.4574	2.4244	1.9590	1.0988	1.0988	2.2465
C2	1.5284		2.4404	1.2543	2.2655	2.1465	2.1465	1.0978
O3	1.4574	2.4404		2.6780	0.9990	2.1188	2.1188	3.4412
O4	2.4244	1.2543	2.6780		2.0206	3.1261	3.1261	2.0631
H5	1.9590	2.2655	0.9990	2.0206		2.7181	2.7181	3.3606
H6	1.0988	2.1465	2.1188	3.1261	2.7181		1.7756	2.5671
H7	1.0988	2.1465	2.1188	3.1261	2.7181	1.7756		2.5671
H8	2.2465	1.0978	3.4412	2.0631	3.3606	2.5671	2.5671

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	120.890	C1	C2	H8	116.653
C1	O3	H5	104.227	C2	C1	O3	109.613
C2	C1	H6	108.468	C2	C1	H7	108.468
O3	C1	H6	111.200	O3	C1	H7	111.200
O4	C2	H8	122.457	H6	C1	H7	107.801

All results from a given calculation for CHOCH₂OH (hydroxy acetaldehyde)

using model chemistry: MP2=FULL/3-21G

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 CHOCH2OH (hydroxy acetaldehyde)

using model chemistry: MP2=FULL/3-21G

States and conformations

All results from a given calculation for CHOCH₂OH (hydroxy acetaldehyde)