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	hartrees
Energy at 0K	-153.678958
Energy at 298.15K	-153.682895
HF Energy	-152.986131
Nuclear repulsion energy	70.009400

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'	3221	3083	4.26	39.61	0.73	0.84
2	A'	3089	2957	1.47	165.45	0.01	0.01
3	A'	2971	2843	103.70	151.00	0.28	0.44
4	A'	1787	1711	128.48	8.10	0.60	0.75
5	A'	1482	1418	22.10	10.15	0.58	0.74
6	A'	1438	1377	9.19	6.14	0.28	0.44
7	A'	1391	1331	23.68	1.68	0.72	0.84
8	A'	1150	1100	21.77	2.47	0.17	0.29
9	A'	910	871	6.83	5.29	0.30	0.47
10	A'	511	489	13.04	1.54	0.38	0.55
11	A"	3171	3035	3.30	54.06	0.75	0.86
12	A"	1494	1430	10.24	4.71	0.75	0.86
13	A"	1143	1094	0.06	1.08	0.75	0.86
14	A"	784	750	1.29	3.19	0.75	0.86
15	A"	160	154	1.11	0.83	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.459	0.000
C2	-0.936	-0.702	0.000
O3	1.205	0.366	0.000
H4	-0.477	1.453	0.000
H5	-0.386	-1.633	0.000
H6	-1.580	-0.646	0.873
H7	-1.580	-0.646	-0.873

	C1	C2	O3	H4	H5	H6	H7
C1		1.4912	1.2084	1.1017	2.1277	2.1166	2.1166
C2	1.4912		2.3921	2.2026	1.0818	1.0866	1.0866
O3	1.2084	2.3921		2.0020	2.5546	3.0889	3.0889
H4	1.1017	2.2026	2.0020		3.0870	2.5263	2.5263
H5	2.1277	1.0818	2.5546	3.0870		1.7787	1.7787
H6	2.1166	1.0866	3.0889	2.5263	1.7787		1.7464
H7	2.1166	1.0866	3.0889	2.5263	1.7787	1.7464

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.562	C1	C2	H6	109.387
C1	C2	H7	109.387	C2	C1	O3	124.442
C2	C1	H4	115.490	O3	C1	H4	120.068
H5	C2	H6	110.235	H5	C2	H7	110.235
H6	C2	H7	106.960

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: MP2=FULL/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=FULL/cc-pVQZ

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)