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	hartrees
Energy at 0K	-226.921449
Energy at 298.15K	-226.926365
HF Energy	-226.480653
Nuclear repulsion energy	117.400334

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3481	3385	15.94
2	A'	3026	2942	56.39
3	A'	3008	2924	28.86
4	A'	1716	1669	25.20
5	A'	1586	1542	5.20
6	A'	1492	1450	106.84
7	A'	1446	1406	6.38
8	A'	1330	1293	47.93
9	A'	1057	1028	29.89
10	A'	837	813	37.88
11	A'	757	736	10.84
12	A'	315	307	20.66
13	A"	3040	2956	30.66
14	A"	1255	1220	7.22
15	A"	1139	1107	0.46
16	A"	800	778	0.07
17	A"	418	406	109.12
18	A"	170	165	13.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.968	0.000
C2	0.955	-0.230	0.000
O3	-1.380	0.506	0.000
O4	0.523	-1.394	0.000
H5	-1.319	-0.488	0.000
H6	0.209	1.583	0.891
H7	0.209	1.583	-0.891
H8	2.031	-0.001	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5322	1.4558	2.4193	1.9651	1.1020	1.1020	2.2502
C2	1.5322		2.4481	1.2408	2.2885	2.1531	2.1531	1.1004
O3	1.4558	2.4481		2.6892	0.9956	2.1167	2.1167	3.4486
O4	2.4193	1.2408	2.6892		2.0532	3.1227	3.1227	2.0524
H5	1.9651	2.2885	0.9956	2.0532		2.7237	2.7237	3.3854
H6	1.1020	2.1531	2.1167	3.1227	2.7237		1.7810	2.5727
H7	1.1020	2.1531	2.1167	3.1227	2.7237	1.7810		2.5727
H8	2.2502	1.1004	3.4486	2.0524	3.3854	2.5727	2.5727

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.129	C1	C2	H8	116.505
C1	O3	H5	105.016	C2	C1	O3	110.004
C2	C1	H6	108.534	C2	C1	H7	108.534
O3	C1	H6	110.936	O3	C1	H7	110.936
O4	C2	H8	122.366	H6	C1	H7	107.814

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

using model chemistry: CCD/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: CCD/3-21G

States and conformations

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