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	hartrees
Energy at 0K	-153.491416
Energy at 298.15K
HF Energy	-152.932330
Nuclear repulsion energy	69.639399

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3203	3035	6.51
2	A'	3084	2921	2.00
3	A'	2963	2807	101.68
4	A'	1841	1744	133.70
5	A'	1494	1416	15.33
6	A'	1455	1378	11.55
7	A'	1409	1335	14.08
8	A'	1146	1086	22.19
9	A'	905	858	5.80
10	A'	504	478	13.59
11	A"	3156	2990	6.42
12	A"	1504	1425	7.54
13	A"	1155	1094	0.59
14	A"	789	747	0.65
15	A"	162	154	0.96

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.465	0.000
C2	-0.934	-0.720	0.000
O3	1.204	0.385	0.000
H4	-0.501	1.454	0.000
H5	-0.365	-1.649	0.000
H6	-1.583	-0.677	0.880
H7	-1.583	-0.677	-0.880

	C1	C2	O3	H4	H5	H6	H7
C1		1.5086	1.2070	1.1085	2.1450	2.1407	2.1407
C2	1.5086		2.4071	2.2165	1.0896	1.0941	1.0941
O3	1.2070	2.4071		2.0121	2.5690	3.1096	3.1096
H4	1.1085	2.2165	2.0121		3.1058	2.5466	2.5466
H5	2.1450	1.0896	2.5690	3.1058		1.7896	1.7896
H6	2.1407	1.0941	3.1096	2.5466	1.7896		1.7603
H7	2.1407	1.0941	3.1096	2.5466	1.7896	1.7603

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.247	C1	C2	H6	109.642
C1	C2	H7	109.642	C2	C1	O3	124.477
C2	C1	H4	114.902	O3	C1	H4	120.621
H5	C2	H6	110.072	H5	C2	H7	110.072
H6	C2	H7	107.112

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: QCISD/6-31G(2df,p)

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(2df,p)

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)