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	hartrees
Energy at 0K	-153.649379
Energy at 298.15K
HF Energy	-152.980804
Nuclear repulsion energy	69.730148

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3159	3159
2	A	3107	3107
3	A	3040	3040
4	A	2923	2923
5	A	1791	1791
6	A	1485	1485
7	A	1471	1471
8	A	1435	1435
9	A	1390	1390
10	A	1139	1139
11	A	1139	1139
12	A	898	898
13	A	780	780
14	A	504	504
15	A	157	157

Atom	x (Å)	y (Å)	z (Å)
C1	0.231	0.401	0.000
C2	-1.168	-0.149	0.000
O3	1.232	-0.278	-0.000
H4	0.308	1.504	0.000
H5	-1.146	-1.235	0.001
H6	-1.701	0.219	0.877
H7	-1.701	0.218	-0.878

	C1	C2	O3	H4	H5	H6	H7
C1		1.5033	1.2094	1.1048	2.1392	2.1304	2.1304
C2	1.5033		2.4032	2.2153	1.0862	1.0910	1.0910
O3	1.2094	2.4032		2.0069	2.5640	3.1019	3.1015
H4	1.1048	2.2153	2.0069		3.1008	2.5408	2.5414
H5	2.1392	1.0862	2.5640	3.1008		1.7863	1.7863
H6	2.1304	1.0910	3.1019	2.5408	1.7863		1.7558
H7	2.1304	1.0910	3.1015	2.5414	1.7863	1.7558

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.365	C1	C2	H6	109.372
C1	C2	H7	109.372	C2	C1	O3	124.362
C2	C1	H4	115.439	O3	C1	H4	120.200
H5	C2	H6	110.258	H5	C2	H7	110.258
H6	C2	H7	107.153

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: CCSD(T)=FULL/Def2TZVPP

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 CH3CHO (Acetaldehyde)

using model chemistry: CCSD(T)=FULL/Def2TZVPP

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)