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	hartrees
Energy at 0K	-228.532404
Energy at 298.15K	-228.537188
HF Energy	-227.829180
Nuclear repulsion energy	119.498276

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3843	3843	57.10
2	A'	3031	3031	57.76
3	A'	2994	2994	62.63
4	A'	1833	1833	113.45
5	A'	1521	1521	9.28
6	A'	1489	1489	66.25
7	A'	1422	1422	18.88
8	A'	1333	1333	36.71
9	A'	1167	1167	66.45
10	A'	889	889	42.43
11	A'	775	775	14.18
12	A'	302	302	22.06
13	A"	3057	3057	31.15
14	A"	1269	1269	1.64
15	A"	1132	1132	0.77
16	A"	748	748	0.42
17	A"	362	362	83.76
18	A"	120	120	17.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.938	0.000
C2	0.928	-0.260	0.000
O3	-1.347	0.553	0.000
O4	0.505	-1.392	0.000
H5	-1.331	-0.409	0.000
H6	0.242	1.545	0.886
H7	0.242	1.545	-0.886
H8	2.014	-0.045	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5157	1.4007	2.3841	1.8942	1.1010	1.1010	2.2414
C2	1.5157		2.4157	1.2080	2.2639	2.1249	2.1249	1.1072
O3	1.4007	2.4157		2.6854	0.9628	2.0720	2.0720	3.4137
O4	2.3841	1.2080	2.6854		2.0821	3.0789	3.0789	2.0225
H5	1.8942	2.2639	0.9628	2.0821		2.6608	2.6608	3.3649
H6	1.1010	2.1249	2.0720	3.0789	2.6608		1.7725	2.5408
H7	1.1010	2.1249	2.0720	3.0789	2.6608	1.7725		2.5408
H8	2.2414	1.1072	3.4137	2.0225	3.3649	2.5408	2.5408

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.750	C1	C2	H8	116.555
C1	O3	H5	105.021	C2	C1	O3	111.791
C2	C1	H6	107.537	C2	C1	H7	107.537
O3	C1	H6	111.268	O3	C1	H7	111.268
O4	C2	H8	121.695	H6	C1	H7	107.214

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

using model chemistry: CCSD/6-311G**

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: CCSD/6-311G**

States and conformations

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