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	hartrees
Energy at 0K	-228.397657
Energy at 298.15K	-228.402487
HF Energy	-227.759603
Nuclear repulsion energy	119.041984

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3701	3525	55.24
2	A'	3033	2888	75.44
3	A'	3014	2870	32.13
4	A'	1814	1728	97.38
5	A'	1549	1475	6.17
6	A'	1499	1427	89.43
7	A'	1431	1362	14.34
8	A'	1343	1279	51.10
9	A'	1161	1106	64.20
10	A'	899	856	44.77
11	A'	771	734	12.51
12	A'	314	299	21.39
13	A"	3055	2909	31.35
14	A"	1267	1207	3.23
15	A"	1140	1086	0.36
16	A"	759	723	0.33
17	A"	375	357	99.60
18	A"	142	135	14.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	-0.935	0.000
C2	-0.934	0.273	0.000
O3	1.360	-0.586	0.000
O4	-0.520	1.415	0.000
H5	1.381	0.385	0.000
H6	-0.238	-1.547	0.886
H7	-0.238	-1.547	-0.886
H8	-2.023	0.053	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5273	1.4042	2.4068	1.9102	1.1020	1.1020	2.2519
C2	1.5273		2.4498	1.2147	2.3175	2.1403	2.1403	1.1111
O3	1.4042	2.4498		2.7452	0.9711	2.0640	2.0640	3.4433
O4	2.4068	1.2147	2.7452		2.1613	3.1038	3.1038	2.0286
H5	1.9102	2.3175	0.9711	2.1613		2.6710	2.6710	3.4200
H6	1.1020	2.1403	2.0640	3.1038	2.6710		1.7710	2.5558
H7	1.1020	2.1403	2.0640	3.1038	2.6710	1.7710		2.5558
H8	2.2519	1.1111	3.4433	2.0286	3.4200	2.5558	2.5558

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	122.330	C1	C2	H8	116.298
C1	O3	H5	105.613	C2	C1	O3	113.307
C2	C1	H6	107.879	C2	C1	H7	107.879
O3	C1	H6	110.298	O3	C1	H7	110.298
O4	C2	H8	121.373	H6	C1	H7	106.937

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

using model chemistry: QCISD/6-31G*

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*

States and conformations

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