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	hartrees
Energy at 0K	-153.705333
Energy at 298.15K	-153.709259
HF Energy	-153.705333
Nuclear repulsion energy	69.907022

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'	3168	3043	9.19	52.21	0.72	0.84
2	A'	3044	2924	1.66	149.06	0.01	0.02
3	A'	2887	2773	138.80	160.61	0.33	0.50
4	A'	1856	1782	185.88	9.14	0.70	0.82
5	A'	1455	1397	22.80	16.72	0.63	0.77
6	A'	1427	1371	13.04	5.33	0.58	0.74
7	A'	1369	1315	31.09	4.52	0.73	0.84
8	A'	1133	1088	25.76	2.03	0.30	0.46
9	A'	897	861	7.07	5.07	0.42	0.59
10	A'	510	490	13.87	1.45	0.49	0.66
11	A"	3112	2988	6.90	68.66	0.75	0.86
12	A"	1465	1407	13.02	9.20	0.75	0.86
13	A"	1137	1092	0.72	1.34	0.75	0.86
14	A"	774	743	1.14	5.41	0.75	0.86
15	A"	161	155	0.37	1.06	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.460	0.000
C2	-0.927	-0.717	0.000
O3	1.198	0.385	0.000
H4	-0.502	1.454	0.000
H5	-0.360	-1.647	0.000
H6	-1.580	-0.672	0.879
H7	-1.580	-0.672	-0.879

	C1	C2	O3	H4	H5	H6	H7
C1		1.4982	1.2008	1.1136	2.1379	2.1331	2.1331
C2	1.4982		2.3944	2.2118	1.0899	1.0954	1.0954
O3	1.2008	2.3944		2.0086	2.5614	3.1000	3.1000
H4	1.1136	2.2118	2.0086		3.1046	2.5404	2.5404
H5	2.1379	1.0899	2.5614	3.1046		1.7920	1.7920
H6	2.1331	1.0954	3.1000	2.5404	1.7920		1.7571
H7	2.1331	1.0954	3.1000	2.5404	1.7920	1.7571

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: HSEh1PBE/6-311G**

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: HSEh1PBE/6-311G**

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)