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	hartrees
Energy at 0K	-153.405593
Energy at 298.15K
HF Energy	-152.920748
Nuclear repulsion energy	69.452387

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3232	3043	10.65
2	A'	3106	2924	3.89
3	A'	2995	2820	120.35
4	A'	1835	1727	124.52
5	A'	1524	1434	13.37
6	A'	1470	1384	12.60
7	A'	1437	1353	9.83
8	A'	1162	1093	22.03
9	A'	919	865	5.28
10	A'	512	482	14.43
11	A"	3181	2995	11.86
12	A"	1532	1442	7.51
13	A"	1165	1097	0.46
14	A"	797	751	0.20
15	A"	145	136	0.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.466	0.000
C2	-0.945	-0.709	0.000
O3	1.214	0.370	0.000
H4	-0.485	1.460	0.000
H5	-0.382	-1.639	0.000
H6	-1.590	-0.662	0.880
H7	-1.590	-0.662	-0.880

	C1	C2	O3	H4	H5	H6	H7
C1		1.5072	1.2182	1.1059	2.1389	2.1387	2.1387
C2	1.5072		2.4135	2.2164	1.0874	1.0920	1.0920
O3	1.2182	2.4135		2.0188	2.5655	3.1150	3.1150
H4	1.1059	2.2164	2.0188		3.1001	2.5487	2.5487
H5	2.1389	1.0874	2.5655	3.1001		1.7857	1.7857
H6	2.1387	1.0920	3.1150	2.5487	1.7857		1.7592
H7	2.1387	1.0920	3.1150	2.5487	1.7857	1.7592

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.995	C1	C2	H6	109.702
C1	C2	H7	109.702	C2	C1	O3	124.298
C2	C1	H4	115.169	O3	C1	H4	120.532
H5	C2	H6	110.041	H5	C2	H7	110.041
H6	C2	H7	107.317

All results from a given calculation for CH₃CHO (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 CH3CHO (Acetaldehyde)

using model chemistry: QCISD/6-31G**

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)