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	hartrees
Energy at 0K	-153.586293
Energy at 298.15K	-153.590253
HF Energy	-152.974586
Nuclear repulsion energy	69.973136

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'	3210	3047	5.09	41.84	0.72	0.84
2	A'	3094	2938	1.76	151.50	0.01	0.02
3	A'	2973	2823	112.20	148.26	0.29	0.45
4	A'	1795	1704	119.14	7.05	0.68	0.81
5	A'	1487	1412	20.77	11.86	0.63	0.77
6	A'	1452	1379	7.98	7.06	0.35	0.52
7	A'	1395	1324	24.72	2.08	0.67	0.80
8	A'	1150	1092	21.59	2.28	0.21	0.34
9	A'	913	867	6.85	5.33	0.33	0.49
10	A'	511	485	13.07	1.50	0.43	0.60
11	A"	3162	3002	4.14	56.72	0.75	0.86
12	A"	1501	1425	9.75	6.28	0.75	0.86
13	A"	1151	1093	0.04	1.13	0.75	0.86
14	A"	793	752	1.05	3.71	0.75	0.86
15	A"	170	161	0.85	0.82	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.459	0.000
C2	-0.937	-0.701	0.000
O3	1.206	0.366	0.000
H4	-0.480	1.449	0.000
H5	-0.385	-1.632	0.000
H6	-1.581	-0.646	0.874
H7	-1.581	-0.646	-0.874

	C1	C2	O3	H4	H5	H6	H7
C1		1.4919	1.2098	1.0999	2.1262	2.1176	2.1176
C2	1.4919		2.3943	2.1986	1.0819	1.0867	1.0867
O3	1.2098	2.3943		2.0040	2.5537	3.0909	3.0909
H4	1.0999	2.1986	2.0040		3.0822	2.5229	2.5229
H5	2.1262	1.0819	2.5537	3.0822		1.7792	1.7792
H6	2.1176	1.0867	3.0909	2.5229	1.7792		1.7480
H7	2.1176	1.0867	3.0909	2.5229	1.7792	1.7480

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.384	C1	C2	H6	109.404
C1	C2	H7	109.404	C2	C1	O3	124.479
C2	C1	H4	115.221	O3	C1	H4	120.300
H5	C2	H6	110.253	H5	C2	H7	110.253
H6	C2	H7	107.076

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: MP2=FULL/cc-pVTZ

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: MP2=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)