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	hartrees
Energy at 0K	-228.487323
Energy at 298.15K	-228.492049
HF Energy	-227.817084
Nuclear repulsion energy	119.423239

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3824	3652	36.02
2	A'	3026	2890	53.93
3	A'	2990	2856	61.10
4	A'	1863	1779	109.26
5	A'	1531	1462	8.87
6	A'	1494	1426	76.40
7	A'	1428	1364	18.57
8	A'	1337	1277	52.11
9	A'	1173	1121	73.13
10	A'	892	852	41.39
11	A'	777	742	14.56
12	A'	307	293	21.55
13	A"	3054	2917	29.48
14	A"	1274	1217	2.61
15	A"	1137	1086	0.59
16	A"	752	718	0.11
17	A"	334	319	96.38
18	A"	103	98	31.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.936	0.000
C2	0.928	-0.261	0.000
O3	-1.348	0.556	0.000
O4	0.513	-1.393	0.000
H5	-1.371	-0.405	0.000
H6	0.234	1.548	0.885
H7	0.234	1.548	-0.885
H8	2.016	-0.050	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5141	1.4001	2.3841	1.9179	1.1015	1.1015	2.2436
C2	1.5141		2.4179	1.2053	2.3035	2.1300	2.1300	1.1082
O3	1.4001	2.4179		2.6946	0.9620	2.0663	2.0663	3.4176
O4	2.3841	1.2053	2.6946		2.1271	3.0836	3.0836	2.0153
H5	1.9179	2.3035	0.9620	2.1271		2.6789	2.6789	3.4054
H6	1.1015	2.1300	2.0663	3.0836	2.6789		1.7703	2.5514
H7	1.1015	2.1300	2.0663	3.0836	2.6789	1.7703		2.5514
H8	2.2436	1.1082	3.4176	2.0153	3.4054	2.5514	2.5514

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	122.080	C1	C2	H8	116.799
C1	O3	H5	107.111	C2	C1	O3	112.070
C2	C1	H6	107.999	C2	C1	H7	107.999
O3	C1	H6	110.813	O3	C1	H7	110.813
O4	C2	H8	121.121	H6	C1	H7	106.947

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

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

States and conformations

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