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	hartrees
Energy at 0K	-153.174428
Energy at 298.15K
HF Energy	-152.839178
Nuclear repulsion energy	68.345201

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3124	3010	14.08
2	A'	3012	2902	5.12
3	A'	2961	2853	102.15
4	A'	1683	1621	77.36
5	A'	1523	1468	20.60
6	A'	1453	1400	21.66
7	A'	1441	1389	5.06
8	A'	1158	1116	23.21
9	A'	916	882	5.89
10	A'	510	491	14.35
11	A"	3078	2966	13.99
12	A"	1527	1471	11.51
13	A"	1159	1117	0.22
14	A"	807	778	1.21
15	A"	142	137	0.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.474	0.000
C2	-0.975	-0.691	0.000
O3	1.246	0.343	0.000
H4	-0.452	1.486	0.000
H5	-0.417	-1.639	0.000
H6	-1.625	-0.644	0.891
H7	-1.625	-0.644	-0.891

	C1	C2	O3	H4	H5	H6	H7
C1		1.5192	1.2531	1.1090	2.1531	2.1645	2.1645
C2	1.5192		2.4507	2.2398	1.0995	1.1039	1.1039
O3	1.2531	2.4507		2.0469	2.5878	3.1648	3.1648
H4	1.1090	2.2398	2.0469		3.1254	2.5906	2.5906
H5	2.1531	1.0995	2.5878	3.1254		1.8006	1.8006
H6	2.1645	1.1039	3.1648	2.5906	1.8006		1.7818
H7	2.1645	1.1039	3.1648	2.5906	1.8006	1.7818

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.571	C1	C2	H6	110.204
C1	C2	H7	110.204	C2	C1	O3	123.975
C2	C1	H4	116.033	O3	C1	H4	119.992
H5	C2	H6	109.608	H5	C2	H7	109.608
H6	C2	H7	107.619

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: QCISD/6-31G

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: QCISD/6-31G

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)