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	hartrees
Energy at 0K	-153.483672
Energy at 298.15K
HF Energy	-152.950674
Nuclear repulsion energy	69.819151

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3197	3197	9.53
2	A'	3077	3077	2.88
3	A'	2978	2978	112.81
4	A'	1894	1894	144.19
5	A'	1507	1507	22.23
6	A'	1469	1469	16.57
7	A'	1425	1425	22.56
8	A'	1162	1162	23.73
9	A'	921	921	4.58
10	A'	522	522	14.86
11	A"	3147	3147	9.72
12	A"	1508	1508	13.35
13	A"	1165	1165	0.20
14	A"	795	795	1.21
15	A"	156	156	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.465	0.000
C2	-0.930	-0.720	0.000
O3	1.198	0.386	0.000
H4	-0.491	1.459	0.000
H5	-0.354	-1.646	0.000
H6	-1.579	-0.685	0.881
H7	-1.579	-0.685	-0.881

	C1	C2	O3	H4	H5	H6	H7
C1		1.5065	1.2007	1.1088	2.1399	2.1427	2.1427
C2	1.5065		2.3985	2.2232	1.0898	1.0947	1.0947
O3	1.2007	2.3985		2.0010	2.5568	3.1042	3.1042
H4	1.1088	2.2232	2.0010		3.1077	2.5605	2.5605
H5	2.1399	1.0898	2.5568	3.1077		1.7888	1.7888
H6	2.1427	1.0947	3.1042	2.5605	1.7888		1.7611
H7	2.1427	1.0947	3.1042	2.5605	1.7888	1.7611

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.982	C1	C2	H6	109.914
C1	C2	H7	109.914	C2	C1	O3	124.361
C2	C1	H4	115.602	O3	C1	H4	120.037
H5	C2	H6	109.940	H5	C2	H7	109.940
H6	C2	H7	107.107

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: MP3=FULL/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: MP3=FULL/6-311G*

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)