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	hartrees
Energy at 0K	-153.373370
Energy at 298.15K	-153.377279
HF Energy	-152.913670
Nuclear repulsion energy	69.325552

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3187	3035	9.39
2	A'	3068	2921	3.36
3	A'	2963	2821	116.13
4	A'	1830	1743	124.32
5	A'	1516	1444	16.08
6	A'	1463	1393	13.28
7	A'	1434	1365	13.89
8	A'	1161	1105	22.10
9	A'	920	876	5.08
10	A'	514	490	14.31
11	A"	3136	2986	10.20
12	A"	1521	1449	9.68
13	A"	1164	1109	0.64
14	A"	796	758	0.59
15	A"	143	136	0.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.466	0.000
C2	-0.941	-0.718	0.000
O3	1.212	0.383	0.000
H4	-0.503	1.459	0.000
H5	-0.367	-1.649	0.000
H6	-1.591	-0.679	0.884
H7	-1.591	-0.679	-0.884

	C1	C2	O3	H4	H5	H6	H7
C1		1.5121	1.2151	1.1138	2.1460	2.1506	2.1506
C2	1.5121		2.4183	2.2209	1.0938	1.0985	1.0985
O3	1.2151	2.4183		2.0251	2.5730	3.1258	3.1258
H4	1.1138	2.2209	2.0251		3.1112	2.5573	2.5573
H5	2.1460	1.0938	2.5730	3.1112		1.7952	1.7952
H6	2.1506	1.0985	3.1258	2.5573	1.7952		1.7687
H7	2.1506	1.0985	3.1258	2.5573	1.7952	1.7687

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.836	C1	C2	H6	109.924
C1	C2	H7	109.924	C2	C1	O3	124.579
C2	C1	H4	114.668	O3	C1	H4	120.753
H5	C2	H6	109.943	H5	C2	H7	109.943
H6	C2	H7	107.233

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)