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	hartrees
Energy at 0K	-153.625165
Energy at 298.15K
HF Energy	-152.981442
Nuclear repulsion energy	69.951030

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3178	3178	8.03
2	A'	3061	3061	3.04
3	A'	2959	2959	98.05
4	A'	1840	1840	151.20
5	A'	1486	1486	19.09
6	A'	1454	1454	10.93
7	A'	1409	1409	15.43
8	A'	1154	1154	22.62
9	A'	911	911	6.12
10	A'	513	513	14.34
11	A"	3126	3126	7.68
12	A"	1499	1499	9.00
13	A"	1159	1159	0.03
14	A"	793	793	0.78
15	A"	161	161	1.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.462	0.000
C2	-0.932	-0.713	0.000
O3	1.200	0.378	0.000
H4	-0.485	1.452	0.000
H5	-0.370	-1.641	0.000
H6	-1.577	-0.665	0.876
H7	-1.577	-0.665	-0.876

	C1	C2	O3	H4	H5	H6	H7
C1		1.5004	1.2032	1.1021	2.1359	2.1273	2.1273
C2	1.5004		2.3955	2.2111	1.0845	1.0893	1.0893
O3	1.2032	2.3955		1.9983	2.5583	3.0934	3.0934
H4	1.1021	2.2111	1.9983		3.0953	2.5379	2.5379
H5	2.1359	1.0845	2.5583	3.0953		1.7827	1.7827
H6	2.1273	1.0893	3.0934	2.5379	1.7827		1.7529
H7	2.1273	1.0893	3.0934	2.5379	1.7827	1.7529

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.406	C1	C2	H6	109.435
C1	C2	H7	109.435	C2	C1	O3	124.394
C2	C1	H4	115.487	O3	C1	H4	120.119
H5	C2	H6	110.182	H5	C2	H7	110.182
H6	C2	H7	107.138

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: CCSD=FULL/Def2TZVPP

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=FULL/Def2TZVPP

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)