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	hartrees
Energy at 0K	-228.565008
Energy at 298.15K	-228.569941
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3818	3610	63.05
2	A'	3048	2882	53.18
3	A'	3020	2856	41.77
4	A'	1844	1743	103.62
5	A'	1529	1446	11.15
6	A'	1492	1411	68.20
7	A'	1427	1349	17.78
8	A'	1341	1268	45.94
9	A'	1171	1107	69.53
10	A'	893	844	39.69
11	A'	775	732	12.63
12	A'	309	292	21.17
13	A"	3073	2906	23.20
14	A"	1277	1208	1.57
15	A"	1136	1074	0.37
16	A"	751	710	0.13
17	A"	394	373	81.38
18	A"	188	178	6.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	-0.932	0.000
C2	-0.928	0.275	0.000
O3	1.349	-0.580	0.000
O4	-0.510	1.403	0.000
H5	1.345	0.379	0.000
H6	-0.241	-1.539	0.882
H7	-0.241	-1.539	-0.882
H8	-2.013	0.058	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5227	1.3945	2.3907	1.8789	1.0976	1.0976	2.2433
C2	1.5227		2.4325	1.2029	2.2753	2.1312	2.1312	1.1066
O3	1.3945	2.4325		2.7190	0.9598	2.0556	2.0556	3.4223
O4	2.3907	1.2029	2.7190		2.1192	3.0836	3.0836	2.0167
H5	1.8789	2.2753	0.9598	2.1192		2.6407	2.6407	3.3733
H6	1.0976	2.1312	2.0556	3.0836	2.6407		1.7650	2.5438
H7	1.0976	2.1312	2.0556	3.0836	2.6407	1.7650		2.5438
H8	2.2433	1.1066	3.4223	2.0167	3.3733	2.5438	2.5438

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	122.159	C1	C2	H8	116.229
C1	O3	H5	104.367	C2	C1	O3	112.917
C2	C1	H6	107.746	C2	C1	H7	107.746
O3	C1	H6	110.582	O3	C1	H7	110.582
O4	C2	H8	121.611	H6	C1	H7	107.034

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

using model chemistry: CCSD/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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