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	hartrees
Energy at 0K	-228.414429
Energy at 298.15K	-228.419256
HF Energy	-227.758727
Nuclear repulsion energy	118.884137

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3658	3509
2	A'	3009	2887
3	A'	2989	2867
4	A'	1785	1713
5	A'	1538	1476
6	A'	1490	1430
7	A'	1419	1361
8	A'	1333	1278
9	A'	1147	1100
10	A'	891	854
11	A'	765	734
12	A'	315	302
13	A"	3032	2909
14	A"	1255	1204
15	A"	1127	1081
16	A"	750	719
17	A"	381	365
18	A"	144	138

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.945	0.000
C2	0.934	-0.247	0.000
O3	-1.350	0.541	0.000
O4	0.506	-1.395	0.000
H5	-1.330	-0.438	0.000
H6	0.229	1.563	0.887
H7	0.229	1.563	-0.887
H8	2.023	-0.038	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5146	1.4095	2.3944	1.9187	1.1051	1.1051	2.2490
C2	1.5146		2.4159	1.2249	2.2713	2.1356	2.1356	1.1089
O3	1.4095	2.4159		2.6817	0.9789	2.0802	2.0802	3.4221
O4	2.3944	1.2249	2.6817		2.0699	3.1007	3.1007	2.0353
H5	1.9187	2.2713	0.9789	2.0699		2.6874	2.6874	3.3760
H6	1.1051	2.1356	2.0802	3.1007	2.6874		1.7740	2.5625
H7	1.1051	2.1356	2.0802	3.1007	2.6874	1.7740		2.5625
H8	2.2490	1.1089	3.4221	2.0353	3.3760	2.5625	2.5625

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.500	C1	C2	H8	117.177
C1	O3	H5	105.481	C2	C1	O3	111.371
C2	C1	H6	108.197	C2	C1	H7	108.197
O3	C1	H6	111.064	O3	C1	H7	111.064
O4	C2	H8	121.323	H6	C1	H7	106.770

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

using model chemistry: QCISD(T)/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(T)/6-31G*

States and conformations

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