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	hartrees
Energy at 0K	-228.567210
Energy at 298.15K	-228.572140
HF Energy	-227.790357
Nuclear repulsion energy	119.777184

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3812	3612	63.28
2	A'	3044	2884	53.64
3	A'	3015	2856	44.91
4	A'	1825	1729	105.25
5	A'	1528	1448	11.34
6	A'	1490	1412	70.10
7	A'	1422	1348	16.91
8	A'	1339	1269	45.24
9	A'	1169	1107	69.11
10	A'	890	843	40.36
11	A'	772	732	11.96
12	A'	308	292	21.24
13	A"	3069	2908	23.79
14	A"	1275	1208	1.57
15	A"	1133	1073	0.32
16	A"	748	709	0.16
17	A"	396	376	80.86
18	A"	188	178	5.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	-0.933	0.000
C2	-0.928	0.275	0.000
O3	1.350	-0.580	0.000
O4	-0.510	1.404	0.000
H5	1.344	0.380	0.000
H6	-0.241	-1.540	0.883
H7	-0.241	-1.540	-0.883
H8	-2.013	0.057	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5235	1.3949	2.3927	1.8790	1.0979	1.0979	2.2439
C2	1.5235		2.4328	1.2044	2.2746	2.1321	2.1321	1.1071
O3	1.3949	2.4328		2.7197	0.9600	2.0565	2.0565	3.4229
O4	2.3927	1.2044	2.7197		2.1185	3.0857	3.0857	2.0189
H5	1.8790	2.2746	0.9600	2.1185		2.6412	2.6412	3.3731
H6	1.0979	2.1321	2.0565	3.0857	2.6412		1.7655	2.5442
H7	1.0979	2.1321	2.0565	3.0857	2.6412	1.7655		2.5442
H8	2.2439	1.1071	3.4229	2.0189	3.3731	2.5442	2.5442

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	122.163	C1	C2	H8	116.181
C1	O3	H5	104.337	C2	C1	O3	112.869
C2	C1	H6	107.745	C2	C1	H7	107.745
O3	C1	H6	110.606	O3	C1	H7	110.606
O4	C2	H8	121.655	H6	C1	H7	107.035

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

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

States and conformations

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