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	hartrees
Energy at 0K	-153.431256
Energy at 298.15K
HF Energy	-152.950243
Nuclear repulsion energy	69.647422

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3168	3025	10.62
2	A'	3049	2913	3.59
3	A'	2946	2814	116.14
4	A'	1870	1786	132.90
5	A'	1501	1433	20.85
6	A'	1459	1394	16.66
7	A'	1420	1356	19.49
8	A'	1156	1104	23.01
9	A'	915	874	4.76
10	A'	519	495	14.37
11	A"	3120	2980	11.16
12	A"	1502	1435	12.54
13	A"	1158	1106	0.17
14	A"	792	756	1.03
15	A"	154	147	0.89

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.466	0.000
C2	-0.933	-0.721	0.000
O3	1.202	0.386	0.000
H4	-0.492	1.462	0.000
H5	-0.357	-1.649	0.000
H6	-1.583	-0.686	0.883
H7	-1.583	-0.686	-0.883

	C1	C2	O3	H4	H5	H6	H7
C1		1.5095	1.2041	1.1116	2.1448	2.1473	2.1473
C2	1.5095		2.4046	2.2277	1.0923	1.0970	1.0970
O3	1.2041	2.4046		2.0064	2.5637	3.1117	3.1117
H4	1.1116	2.2277	2.0064		3.1147	2.5660	2.5660
H5	2.1448	1.0923	2.5637	3.1147		1.7921	1.7921
H6	2.1473	1.0970	3.1117	2.5660	1.7921		1.7654
H7	2.1473	1.0970	3.1117	2.5660	1.7921	1.7654

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.010	C1	C2	H6	109.931
C1	C2	H7	109.931	C2	C1	O3	124.395
C2	C1	H4	115.571	O3	C1	H4	120.034
H5	C2	H6	109.885	H5	C2	H7	109.885
H6	C2	H7	107.155

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: CCD/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: CCD/6-311G*

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)