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	hartrees
Energy at 0K	-29.435565
Energy at 298.15K	-29.439460
HF Energy	-28.994952
Nuclear repulsion energy	39.018361

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'	3207	3055	10.30	47.40	0.74	0.85
2	A'	3068	2923	4.54	148.72	0.01	0.02
3	A'	2978	2837	126.92	150.13	0.33	0.50
4	A'	1738	1656	120.08	6.37	0.65	0.79
5	A'	1505	1434	24.10	15.09	0.66	0.80
6	A'	1440	1372	17.87	9.67	0.37	0.54
7	A'	1415	1348	11.99	3.72	0.74	0.85
8	A'	1151	1097	21.02	3.60	0.32	0.48
9	A'	901	859	6.10	7.41	0.37	0.54
10	A'	503	480	12.71	1.65	0.44	0.61
11	A"	3157	3008	11.20	61.88	0.75	0.86
12	A"	1507	1436	12.71	9.97	0.75	0.86
13	A"	1145	1091	0.01	0.70	0.75	0.86
14	A"	780	743	0.89	7.49	0.75	0.86
15	A"	144	138	0.86	0.96	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.469	0.000
C2	-0.957	-0.707	0.000
O3	1.227	0.362	0.000
H4	-0.469	1.476	0.000
H5	-0.397	-1.643	0.000
H6	-1.604	-0.651	0.883
H7	-1.604	-0.651	-0.883

	C1	C2	O3	H4	H5	H6	H7
C1		1.5164	1.2319	1.1101	2.1498	2.1468	2.1468
C2	1.5164		2.4319	2.2363	1.0914	1.0963	1.0963
O3	1.2319	2.4319		2.0290	2.5807	3.1341	3.1341
H4	1.1101	2.2363	2.0290		3.1198	2.5675	2.5675
H5	2.1498	1.0914	2.5807	3.1198		1.7948	1.7948
H6	2.1468	1.0963	3.1341	2.5675	1.7948		1.7669
H7	2.1468	1.0963	3.1341	2.5675	1.7948	1.7669

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.977	C1	C2	H6	109.455
C1	C2	H7	109.455	C2	C1	O3	124.143
C2	C1	H4	115.872	O3	C1	H4	119.985
H5	C2	H6	110.259	H5	C2	H7	110.259
H6	C2	H7	107.390

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: MP2/CEP-121G*

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/CEP-121G*

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)