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	hartrees
Energy at 0K	-153.414460
Energy at 298.15K
HF Energy	-152.927344
Nuclear repulsion energy	69.231057

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3188	3020	9.20
2	A'	3064	2902	4.12
3	A'	2941	2786	128.66
4	A'	1847	1750	137.75
5	A'	1464	1387	15.12
6	A'	1438	1362	14.15
7	A'	1386	1313	11.24
8	A'	1137	1077	22.00
9	A'	907	860	4.53
10	A'	506	480	13.99
11	A"	3143	2977	10.08
12	A"	1475	1398	8.45
13	A"	1137	1077	0.25
14	A"	782	740	0.35
15	A"	167	158	0.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.466	0.000
C2	-0.938	-0.723	0.000
O3	1.210	0.387	0.000
H4	-0.509	1.466	0.000
H5	-0.360	-1.662	0.000
H6	-1.592	-0.680	0.890
H7	-1.592	-0.680	-0.890

	C1	C2	O3	H4	H5	H6	H7
C1		1.5146	1.2124	1.1219	2.1581	2.1543	2.1543
C2	1.5146		2.4176	2.2311	1.1015	1.1057	1.1057
O3	1.2124	2.4176		2.0290	2.5814	3.1276	3.1276
H4	1.1219	2.2311	2.0290		3.1312	2.5638	2.5638
H5	2.1581	1.1015	2.5814	3.1312		1.8089	1.8089
H6	2.1543	1.1057	3.1276	2.5638	1.8089		1.7806
H7	2.1543	1.1057	3.1276	2.5638	1.8089	1.7806

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.160	C1	C2	H6	109.616
C1	C2	H7	109.616	C2	C1	O3	124.517
C2	C1	H4	114.793	O3	C1	H4	120.690
H5	C2	H6	110.073	H5	C2	H7	110.073
H6	C2	H7	107.254

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: CCSD/cc-pVDZ

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: CCSD/cc-pVDZ

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)