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	hartrees
Energy at 0K	-153.727527
Energy at 298.15K	-153.731452
HF Energy	-153.557249
Nuclear repulsion energy	69.661422

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3174	3174	12.97	52.15	0.72	0.84
2	A'	3057	3057	3.51	136.44	0.01	0.02
3	A'	2916	2916	148.81	160.61	0.34	0.51
4	A'	1807	1807	152.30	7.28	0.72	0.84
5	A'	1496	1496	24.37	16.75	0.66	0.80
6	A'	1446	1446	13.25	8.45	0.53	0.70
7	A'	1408	1408	24.25	3.96	0.68	0.81
8	A'	1146	1146	23.85	2.28	0.35	0.52
9	A'	898	898	7.48	5.86	0.42	0.59
10	A'	512	512	13.31	1.60	0.48	0.65
11	A"	3119	3119	11.77	69.44	0.75	0.86
12	A"	1503	1503	12.47	10.46	0.75	0.86
13	A"	1149	1149	0.49	1.07	0.75	0.86
14	A"	785	785	0.80	6.26	0.75	0.86
15	A"	157	157	0.51	1.12	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.462	0.000
C2	-0.934	-0.717	0.000
O3	1.205	0.384	0.000
H4	-0.495	1.456	0.000
H5	-0.369	-1.648	0.000
H6	-1.585	-0.677	0.878
H7	-1.585	-0.677	-0.878

	C1	C2	O3	H4	H5	H6	H7
C1		1.5050	1.2076	1.1105	2.1420	2.1404	2.1404
C2	1.5050		2.4066	2.2177	1.0885	1.0937	1.0937
O3	1.2076	2.4066		2.0100	2.5704	3.1116	3.1116
H4	1.1105	2.2177	2.0100		3.1065	2.5512	2.5512
H5	2.1420	1.0885	2.5704	3.1065		1.7868	1.7868
H6	2.1404	1.0937	3.1116	2.5512	1.7868		1.7564
H7	2.1404	1.0937	3.1116	2.5512	1.7868	1.7564

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.327	C1	C2	H6	109.885
C1	C2	H7	109.885	C2	C1	O3	124.678
C2	C1	H4	115.136	O3	C1	H4	120.186
H5	C2	H6	109.928	H5	C2	H7	109.928
H6	C2	H7	106.824

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: B2PLYP=FULL/6-311G*

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: B2PLYP=FULL/6-311G*

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)