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	hartrees
Energy at 0K	-153.482812
Energy at 298.15K
HF Energy	-152.970278
Nuclear repulsion energy	69.633786

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3182	3039	11.83
2	A'	3064	2927	4.45
3	A'	2960	2828	115.06
4	A'	1812	1731	147.90
5	A'	1495	1429	17.50
6	A'	1465	1399	9.71
7	A'	1419	1356	13.63
8	A'	1154	1102	22.72
9	A'	905	865	6.59
10	A'	519	495	13.47
11	A"	3133	2993	11.87
12	A"	1494	1427	9.34
13	A"	1153	1101	0.02
14	A"	792	756	0.09
15	A"	152	145	1.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.464	0.000
C2	-0.938	-0.714	0.000
O3	1.207	0.378	0.000
H4	-0.488	1.457	0.000
H5	-0.376	-1.647	0.000
H6	-1.583	-0.665	0.881
H7	-1.583	-0.665	-0.881

	C1	C2	O3	H4	H5	H6	H7
C1		1.5057	1.2101	1.1065	2.1439	2.1349	2.1349
C2	1.5057		2.4071	2.2175	1.0888	1.0934	1.0934
O3	1.2101	2.4071		2.0088	2.5706	3.1066	3.1066
H4	1.1065	2.2175	2.0088		3.1060	2.5458	2.5458
H5	2.1439	1.0888	2.5706	3.1060		1.7881	1.7881
H6	2.1349	1.0934	3.1066	2.5458	1.7881		1.7625
H7	2.1349	1.0934	3.1066	2.5458	1.7881	1.7625

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.418	C1	C2	H6	109.423
C1	C2	H7	109.423	C2	C1	O3	124.472
C2	C1	H4	115.336	O3	C1	H4	120.192
H5	C2	H6	110.056	H5	C2	H7	110.056
H6	C2	H7	107.408

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: QCISD/TZVP

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/TZVP

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)