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	hartrees
Energy at 0K	-153.557420
Energy at 298.15K
HF Energy	-152.975107
Nuclear repulsion energy	69.904049

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3182	2971	8.03
2	A'	3064	2861	2.96
3	A'	2963	2766	99.95
4	A'	1867	1743	142.61
5	A'	1487	1389	17.71
6	A'	1456	1359	11.56
7	A'	1405	1312	15.84
8	A'	1151	1075	22.39
9	A'	912	852	5.95
10	A'	514	480	14.78
11	A"	3133	2925	8.06
12	A"	1497	1398	8.73
13	A"	1157	1080	0.02
14	A"	793	740	0.79
15	A"	159	149	1.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.463	0.000
C2	-0.931	-0.716	0.000
O3	1.200	0.382	0.000
H4	-0.489	1.453	0.000
H5	-0.366	-1.644	0.000
H6	-1.578	-0.671	0.878
H7	-1.578	-0.671	-0.878

	C1	C2	O3	H4	H5	H6	H7
C1		1.5023	1.2023	1.1044	2.1389	2.1322	2.1322
C2	1.5023		2.3967	2.2138	1.0863	1.0912	1.0912
O3	1.2023	2.3967		2.0000	2.5605	3.0972	3.0972
H4	1.1044	2.2138	2.0000		3.0998	2.5433	2.5433
H5	2.1389	1.0863	2.5605	3.0998		1.7845	1.7845
H6	2.1322	1.0912	3.0972	2.5433	1.7845		1.7553
H7	2.1322	1.0912	3.0972	2.5433	1.7845	1.7553

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.398	C1	C2	H6	109.576
C1	C2	H7	109.576	C2	C1	O3	124.410
C2	C1	H4	115.417	O3	C1	H4	120.173
H5	C2	H6	110.069	H5	C2	H7	110.069
H6	C2	H7	107.090

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: CCD/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: CCD/cc-pVTZ

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)