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	hartrees
Energy at 0K	-153.464417
Energy at 298.15K	-153.468349
HF Energy	-152.931876
Nuclear repulsion energy	69.615902

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'	3237	3057	3.44	42.27	0.74	0.85
2	A'	3104	2932	0.84	105.57	0.01	0.02
3	A'	2971	2806	105.92	114.06	0.32	0.48
4	A'	1801	1701	106.30	5.22	0.48	0.65
5	A'	1490	1407	16.80	18.29	0.68	0.81
6	A'	1447	1366	10.41	7.86	0.53	0.69
7	A'	1396	1318	19.92	3.03	0.75	0.85
8	A'	1142	1079	22.10	3.12	0.38	0.55
9	A'	906	855	6.51	5.68	0.34	0.50
10	A'	502	474	12.36	1.12	0.39	0.56
11	A"	3190	3013	2.79	57.00	0.75	0.86
12	A"	1501	1418	8.49	11.04	0.75	0.86
13	A"	1146	1083	0.67	1.07	0.75	0.86
14	A"	783	739	1.06	5.13	0.75	0.86
15	A"	166	157	0.59	0.81	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.463	0.000
C2	-0.938	-0.712	0.000
O3	1.209	0.376	0.000
H4	-0.495	1.455	0.000
H5	-0.376	-1.644	0.000
H6	-1.586	-0.663	0.878
H7	-1.586	-0.663	-0.878

	C1	C2	O3	H4	H5	H6	H7
C1		1.5035	1.2122	1.1086	2.1400	2.1345	2.1345
C2	1.5035		2.4074	2.2115	1.0882	1.0926	1.0926
O3	1.2122	2.4074		2.0167	2.5680	3.1092	3.1092
H4	1.1086	2.2115	2.0167		3.1007	2.5393	2.5393
H5	2.1400	1.0882	2.5680	3.1007		1.7881	1.7881
H6	2.1345	1.0926	3.1092	2.5393	1.7881		1.7564
H7	2.1345	1.0926	3.1092	2.5393	1.7881	1.7564

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.293	C1	C2	H6	109.595
C1	C2	H7	109.595	C2	C1	O3	124.523
C2	C1	H4	114.859	O3	C1	H4	120.618
H5	C2	H6	110.156	H5	C2	H7	110.156
H6	C2	H7	106.986

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)