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	hartrees
Energy at 0K	-153.421112
Energy at 298.15K
HF Energy	-152.927491
Nuclear repulsion energy	69.279530

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3194	3194	8.99
2	A'	3069	3069	4.02
3	A'	2946	2946	128.27
4	A'	1850	1850	138.03
5	A'	1466	1466	15.25
6	A'	1440	1440	14.20
7	A'	1388	1388	11.48
8	A'	1139	1139	21.95
9	A'	909	909	4.50
10	A'	507	507	14.01
11	A"	3149	3149	9.83
12	A"	1478	1478	8.54
13	A"	1139	1139	0.26
14	A"	783	783	0.36
15	A"	167	167	0.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.466	0.000
C2	-0.937	-0.722	0.000
O3	1.209	0.387	0.000
H4	-0.508	1.465	0.000
H5	-0.361	-1.660	0.000
H6	-1.591	-0.679	0.889
H7	-1.591	-0.679	-0.889

	C1	C2	O3	H4	H5	H6	H7
C1		1.5132	1.2118	1.1209	2.1563	2.1524	2.1524
C2	1.5132		2.4161	2.2291	1.1005	1.1047	1.1047
O3	1.2118	2.4161		2.0275	2.5800	3.1254	3.1254
H4	1.1209	2.2291	2.0275		3.1286	2.5615	2.5615
H5	2.1563	1.1005	2.5800	3.1286		1.8071	1.8071
H6	2.1524	1.1047	3.1254	2.5615	1.8071		1.7788
H7	2.1524	1.1047	3.1254	2.5615	1.8071	1.7788

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.175	C1	C2	H6	109.620
C1	C2	H7	109.620	C2	C1	O3	124.534
C2	C1	H4	114.794	O3	C1	H4	120.673
H5	C2	H6	110.065	H5	C2	H7	110.065
H6	C2	H7	107.246

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: CCSD=FULL/cc-pVDZ

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=FULL/cc-pVDZ

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)