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	hartrees
Energy at 0K	-153.497671
Energy at 298.15K
HF Energy	-152.982102
Nuclear repulsion energy	70.310612

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3256	3256	8.15
2	A'	3137	3137	2.73
3	A'	3041	3041	95.82
4	A'	1920	1920	184.84
5	A'	1523	1523	19.82
6	A'	1491	1491	12.76
7	A'	1447	1447	15.47
8	A'	1181	1181	24.34
9	A'	933	933	5.59
10	A'	526	526	16.11
11	A"	3205	3205	7.59
12	A"	1534	1534	9.33
13	A"	1197	1197	0.15
14	A"	813	813	0.68
15	A"	163	163	1.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.460	0.000
C2	-0.924	-0.717	0.000
O3	1.191	0.384	0.000
H4	-0.490	1.443	0.000
H5	-0.362	-1.639	0.000
H6	-1.567	-0.670	0.873
H7	-1.567	-0.670	-0.873

	C1	C2	O3	H4	H5	H6	H7
C1		1.4962	1.1934	1.0981	2.1305	2.1201	2.1201
C2	1.4962		2.3842	2.2031	1.0803	1.0851	1.0851
O3	1.1934	2.3842		1.9863	2.5507	3.0788	3.0788
H4	1.0981	2.2031	1.9863		3.0851	2.5278	2.5278
H5	2.1305	1.0803	2.5507	3.0851		1.7755	1.7755
H6	2.1201	1.0851	3.0788	2.5278	1.7755		1.7461
H7	2.1201	1.0851	3.0788	2.5278	1.7755	1.7461

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.520	C1	C2	H6	109.409
C1	C2	H7	109.409	C2	C1	O3	124.482
C2	C1	H4	115.395	O3	C1	H4	120.124
H5	C2	H6	110.150	H5	C2	H7	110.150
H6	C2	H7	107.135

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: CID/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: CID/Def2TZVPP

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)