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	hartrees
Energy at 0K	-153.562118
Energy at 298.15K
HF Energy	-152.981463
Nuclear repulsion energy	69.921719

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3186	3186	7.84
2	A'	3067	3067	2.89
3	A'	2968	2968	95.16
4	A'	1861	1861	148.80
5	A'	1487	1487	18.34
6	A'	1456	1456	11.63
7	A'	1409	1409	15.09
8	A'	1152	1152	23.00
9	A'	912	912	5.95
10	A'	514	514	14.58
11	A"	3135	3135	7.46
12	A"	1498	1498	9.07
13	A"	1158	1158	0.01
14	A"	791	791	0.84
15	A"	161	161	1.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.463	0.000
C2	-0.931	-0.716	0.000
O3	1.199	0.381	0.000
H4	-0.487	1.454	0.000
H5	-0.367	-1.645	0.000
H6	-1.577	-0.669	0.878
H7	-1.577	-0.669	-0.878

	C1	C2	O3	H4	H5	H6	H7
C1		1.5019	1.2021	1.1039	2.1391	2.1305	2.1305
C2	1.5019		2.3960	2.2144	1.0862	1.0911	1.0911
O3	1.2021	2.3960		1.9984	2.5607	3.0956	3.0956
H4	1.1039	2.2144	1.9984		3.1004	2.5425	2.5425
H5	2.1391	1.0862	2.5607	3.1004		1.7850	1.7850
H6	2.1305	1.0911	3.0956	2.5425	1.7850		1.7553
H7	2.1305	1.0911	3.0956	2.5425	1.7850	1.7553

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.452	C1	C2	H6	109.479
C1	C2	H7	109.479	C2	C1	O3	124.398
C2	C1	H4	115.528	O3	C1	H4	120.074
H5	C2	H6	110.132	H5	C2	H7	110.132
H6	C2	H7	107.102

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: CCD/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: CCD/Def2TZVPP

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)