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	hartrees
Energy at 0K	-153.500553
Energy at 298.15K
HF Energy	-152.982042
Nuclear repulsion energy	70.267352

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3252	3252	8.55
2	A'	3134	3134	2.85
3	A'	3035	3035	97.90
4	A'	1910	1910	184.29
5	A'	1522	1522	19.82
6	A'	1489	1489	12.57
7	A'	1445	1445	15.19
8	A'	1180	1180	24.27
9	A'	931	931	5.72
10	A'	525	525	15.92
11	A"	3201	3201	7.96
12	A"	1534	1534	9.22
13	A"	1195	1195	0.15
14	A"	812	812	0.64
15	A"	163	163	1.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.460	0.000
C2	-0.925	-0.716	0.000
O3	1.192	0.384	0.000
H4	-0.489	1.444	0.000
H5	-0.363	-1.640	0.000
H6	-1.568	-0.669	0.873
H7	-1.568	-0.669	-0.873

	C1	C2	O3	H4	H5	H6	H7
C1		1.4967	1.1947	1.0984	2.1311	2.1206	2.1206
C2	1.4967		2.3859	2.2034	1.0806	1.0854	1.0854
O3	1.1947	2.3859		1.9878	2.5522	3.0805	3.0805
H4	1.0984	2.2034	1.9878		3.0858	2.5280	2.5280
H5	2.1311	1.0806	2.5522	3.0858		1.7759	1.7759
H6	2.1206	1.0854	3.0805	2.5280	1.7759		1.7465
H7	2.1206	1.0854	3.0805	2.5280	1.7759	1.7465

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.523	C1	C2	H6	109.396
C1	C2	H7	109.396	C2	C1	O3	124.496
C2	C1	H4	115.368	O3	C1	H4	120.137
H5	C2	H6	110.158	H5	C2	H7	110.158
H6	C2	H7	107.140

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: CISD/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: CISD/Def2TZVPP

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)