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	hartrees
Energy at 0K	-228.089015
Energy at 298.15K	-228.093750
HF Energy	-227.649907
Nuclear repulsion energy	116.719704

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3581	3402	30.88
2	A'	3066	2913	81.57
3	A'	3048	2896	9.55
4	A'	1634	1552	25.38
5	A'	1567	1488	13.14
6	A'	1451	1379	63.66
7	A'	1431	1360	8.74
8	A'	1313	1248	68.11
9	A'	1064	1011	34.32
10	A'	874	830	59.15
11	A'	744	707	10.62
12	A'	303	288	21.02
13	A"	3093	2938	24.73
14	A"	1243	1181	6.95
15	A"	1141	1084	0.36
16	A"	782	743	0.03
17	A"	348	330	130.27
18	A"	120	114	33.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.959	0.000
C2	0.957	-0.221	0.000
O3	-1.389	0.521	0.000
O4	0.545	-1.412	0.000
H5	-1.405	-0.464	0.000
H6	0.190	1.580	0.889
H7	0.190	1.580	-0.889
H8	2.035	0.005	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5193	1.4564	2.4331	1.9999	1.1012	1.1012	2.2475
C2	1.5193		2.4607	1.2608	2.3751	2.1500	2.1500	1.1011
O3	1.4564	2.4607		2.7344	0.9848	2.0993	2.0993	3.4626
O4	2.4331	1.2608	2.7344		2.1687	3.1419	3.1419	2.0564
H5	1.9999	2.3751	0.9848	2.1687		2.7414	2.7414	3.4721
H6	1.1012	2.1500	2.0993	3.1419	2.7414		1.7782	2.5835
H7	1.1012	2.1500	2.0993	3.1419	2.7414	1.7782		2.5835
H8	2.2475	1.1011	3.4626	2.0564	3.4721	2.5835	2.5835

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.853	C1	C2	H8	117.225
C1	O3	H5	108.463	C2	C1	O3	111.548
C2	C1	H6	109.219	C2	C1	H7	109.219
O3	C1	H6	109.545	O3	C1	H7	109.545
O4	C2	H8	120.922	H6	C1	H7	107.682

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G

States and conformations

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