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	hartrees
Energy at 0K	-153.475317
Energy at 298.15K
HF Energy	-152.970802
Nuclear repulsion energy	69.798352

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3193	3027	11.12
2	A'	3075	2915	4.02
3	A'	2980	2825	105.38
4	A'	1858	1761	140.01
5	A'	1500	1422	16.81
6	A'	1476	1400	11.15
7	A'	1425	1350	13.80
8	A'	1159	1099	23.15
9	A'	913	866	6.14
10	A'	523	496	14.02
11	A"	3145	2982	11.23
12	A"	1497	1419	9.66
13	A"	1161	1100	0.00
14	A"	796	755	0.18
15	A"	155	147	1.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.463	0.000
C2	-0.933	-0.716	0.000
O3	1.202	0.381	0.000
H4	-0.488	1.455	0.000
H5	-0.369	-1.646	0.000
H6	-1.579	-0.670	0.881
H7	-1.579	-0.670	-0.881

	C1	C2	O3	H4	H5	H6	H7
C1		1.5042	1.2047	1.1052	2.1418	2.1339	2.1339
C2	1.5042		2.4006	2.2166	1.0881	1.0927	1.0927
O3	1.2047	2.4006		2.0022	2.5646	3.1004	3.1004
H4	1.1052	2.2166	2.0022		3.1038	2.5464	2.5464
H5	2.1418	1.0881	2.5646	3.1038		1.7865	1.7865
H6	2.1339	1.0927	3.1004	2.5464	1.7865		1.7611
H7	2.1339	1.0927	3.1004	2.5464	1.7865	1.7611

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.398	C1	C2	H6	109.492
C1	C2	H7	109.492	C2	C1	O3	124.425
C2	C1	H4	115.461	O3	C1	H4	120.114
H5	C2	H6	110.007	H5	C2	H7	110.007
H6	C2	H7	107.390

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: CCD/TZVP

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/TZVP

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)