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	hartrees
Energy at 0K	-153.492969
Energy at 298.15K
HF Energy	-152.975740
Nuclear repulsion energy	70.293951

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3253	3014	8.32
2	A'	3134	2904	2.80
3	A'	3036	2813	100.18
4	A'	1925	1783	178.25
5	A'	1522	1410	19.19
6	A'	1491	1381	12.79
7	A'	1444	1337	16.15
8	A'	1181	1094	23.77
9	A'	934	865	5.57
10	A'	526	488	16.31
11	A"	3203	2967	8.20
12	A"	1534	1421	9.03
13	A"	1196	1108	0.16
14	A"	814	754	0.64
15	A"	162	150	1.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.460	0.000
C2	-0.924	-0.716	0.000
O3	1.191	0.384	0.000
H4	-0.491	1.443	0.000
H5	-0.361	-1.639	0.000
H6	-1.567	-0.672	0.873
H7	-1.567	-0.672	-0.873

	C1	C2	O3	H4	H5	H6	H7
C1		1.4964	1.1938	1.0984	2.1301	2.1215	2.1215
C2	1.4964		2.3848	2.2025	1.0805	1.0852	1.0852
O3	1.1938	2.3848		1.9876	2.5503	3.0802	3.0802
H4	1.0984	2.2025	1.9876		3.0845	2.5287	2.5287
H5	2.1301	1.0805	2.5503	3.0845		1.7751	1.7751
H6	2.1215	1.0852	3.0802	2.5287	1.7751		1.7461
H7	2.1215	1.0852	3.0802	2.5287	1.7751	1.7461

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.469	C1	C2	H6	109.497
C1	C2	H7	109.497	C2	C1	O3	124.486
C2	C1	H4	115.318	O3	C1	H4	120.196
H5	C2	H6	110.095	H5	C2	H7	110.095
H6	C2	H7	107.124

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: CID/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)