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	hartrees
Energy at 0K	-153.621019
Energy at 298.15K
HF Energy	-152.977908
Nuclear repulsion energy	70.206550

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3192	3192	6.82
2	A	3145	3145	5.72
3	A	3087	3087	2.37
4	A	2988	2988	86.26
5	A	1889	1889	167.70
6	A	1511	1511	9.51
7	A	1499	1499	20.48
8	A	1461	1461	12.73
9	A	1416	1416	17.44
10	A	1167	1167	0.01
11	A	1161	1161	22.80
12	A	921	921	5.88
13	A	798	798	1.34
14	A	516	516	15.10
15	A	158	158	1.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.233	0.397	0.000
C2	-1.160	-0.147	0.000
O3	1.223	-0.276	0.000
H4	0.310	1.493	0.000
H5	-1.147	-1.230	0.000
H6	-1.691	0.222	0.876
H7	-1.691	0.222	-0.876

	C1	C2	O3	H4	H5	H6	H7
C1		1.4947	1.1971	1.0988	2.1334	2.1203	2.1203
C2	1.4947		2.3861	2.2018	1.0837	1.0884	1.0884
O3	1.1971	2.3861		1.9904	2.5551	3.0826	3.0826
H4	1.0988	2.2018	1.9904		3.0885	2.5265	2.5265
H5	2.1334	1.0837	2.5551	3.0885		1.7809	1.7809
H6	2.1203	1.0884	3.0826	2.5265	1.7809		1.7514
H7	2.1203	1.0884	3.0826	2.5265	1.7809	1.7514

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.664	C1	C2	H6	109.333
C1	C2	H7	109.333	C2	C1	O3	124.490
C2	C1	H4	115.354	O3	C1	H4	120.156
H5	C2	H6	110.148	H5	C2	H7	110.148
H6	C2	H7	107.140

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: MP3=FULL/aug-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: MP3=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)