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	hartrees
Energy at 0K	-153.542153
Energy at 298.15K	-153.546083
HF Energy	-152.974175
Nuclear repulsion energy	69.722393

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'	3205	3044	5.36	43.07	0.73	0.85
2	A'	3076	2921	1.84	153.22	0.01	0.01
3	A'	2955	2805	114.08	150.86	0.29	0.45
4	A'	1783	1693	117.94	7.06	0.68	0.81
5	A'	1477	1402	19.92	12.00	0.63	0.77
6	A'	1437	1365	8.75	7.23	0.35	0.52
7	A'	1385	1315	22.29	2.17	0.68	0.81
8	A'	1142	1085	21.82	2.45	0.21	0.34
9	A'	905	859	7.06	5.63	0.33	0.49
10	A'	507	481	12.96	1.55	0.43	0.60
11	A"	3157	2997	4.61	57.67	0.75	0.86
12	A"	1490	1415	9.51	6.39	0.75	0.86
13	A"	1139	1082	0.03	1.08	0.75	0.86
14	A"	781	742	0.99	3.89	0.75	0.86
15	A"	159	151	0.87	0.86	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.461	0.000
C2	-0.939	-0.706	0.000
O3	1.209	0.370	0.000
H4	-0.483	1.456	0.000
H5	-0.385	-1.640	0.000
H6	-1.586	-0.652	0.876
H7	-1.586	-0.652	-0.876

	C1	C2	O3	H4	H5	H6	H7
C1		1.4987	1.2129	1.1054	2.1360	2.1266	2.1266
C2	1.4987		2.4032	2.2096	1.0854	1.0902	1.0902
O3	1.2129	2.4032		2.0109	2.5651	3.1024	3.1024
H4	1.1054	2.2096	2.0109		3.0968	2.5351	2.5351
H5	2.1360	1.0854	2.5651	3.0968		1.7844	1.7844
H6	2.1266	1.0902	3.1024	2.5351	1.7844		1.7526
H7	2.1266	1.0902	3.1024	2.5351	1.7844	1.7526

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.477	C1	C2	H6	109.447
C1	C2	H7	109.447	C2	C1	O3	124.482
C2	C1	H4	115.271	O3	C1	H4	120.248
H5	C2	H6	110.205	H5	C2	H7	110.205
H6	C2	H7	106.991

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: MP2/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/cc-pVTZ

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)