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	hartrees
Energy at 0K	-153.598052
Energy at 298.15K	-153.601974
HF Energy	-152.986360
Nuclear repulsion energy	69.814509

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	3043	4.46	37.50	0.73	0.85
2	A'	3073	2919	1.63	182.13	0.01	0.01
3	A'	2958	2809	100.33	155.86	0.27	0.42
4	A'	1770	1681	135.78	10.74	0.41	0.58
5	A'	1476	1402	22.83	9.06	0.53	0.69
6	A'	1428	1356	9.41	5.40	0.24	0.38
7	A'	1386	1316	21.40	1.35	0.73	0.84
8	A'	1143	1085	21.77	3.07	0.16	0.27
9	A'	904	859	6.83	5.53	0.29	0.44
10	A'	508	482	12.74	1.51	0.28	0.44
11	A"	3156	2997	3.38	52.87	0.75	0.86
12	A"	1489	1414	10.12	3.49	0.75	0.86
13	A"	1135	1078	0.00	0.89	0.75	0.86
14	A"	777	738	1.53	2.75	0.75	0.86
15	A"	157	149	1.38	0.83	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.461	0.000
C2	-0.939	-0.704	0.000
O3	1.208	0.366	0.000
H4	-0.476	1.458	0.000
H5	-0.388	-1.638	0.000
H6	-1.584	-0.646	0.876
H7	-1.584	-0.646	-0.876

	C1	C2	O3	H4	H5	H6	H7
C1		1.4959	1.2118	1.1046	2.1352	2.1216	2.1216
C2	1.4959		2.3982	2.2102	1.0847	1.0895	1.0895
O3	1.2118	2.3982		2.0075	2.5621	3.0960	3.0960
H4	1.1046	2.2102	2.0075		3.0974	2.5334	2.5334
H5	2.1352	1.0847	2.5621	3.0974		1.7839	1.7839
H6	2.1216	1.0895	3.0960	2.5334	1.7839		1.7516
H7	2.1216	1.0895	3.0960	2.5334	1.7839	1.7516

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.655	C1	C2	H6	109.285
C1	C2	H7	109.285	C2	C1	O3	124.339
C2	C1	H4	115.589	O3	C1	H4	120.072
H5	C2	H6	110.265	H5	C2	H7	110.265
H6	C2	H7	107.006

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: MP2/aug-cc-pVQZ

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/aug-cc-pVQZ

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)