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	hartrees
Energy at 0K	-153.489520
Energy at 298.15K
HF Energy	-152.974561
Nuclear repulsion energy	70.312989

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3252	3005	8.03
2	A'	3132	2894	2.83
3	A'	3035	2804	90.48
4	A'	1923	1777	194.67
5	A'	1526	1410	20.77
6	A'	1487	1374	14.16
7	A'	1448	1338	14.29
8	A'	1181	1091	24.29
9	A'	933	862	5.45
10	A'	527	487	16.28
11	A"	3200	2957	7.55
12	A"	1536	1420	9.45
13	A"	1194	1103	0.13
14	A"	812	750	0.94
15	A"	162	150	2.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.461	0.000
C2	-0.923	-0.718	0.000
O3	1.190	0.386	0.000
H4	-0.491	1.445	0.000
H5	-0.361	-1.642	0.000
H6	-1.566	-0.672	0.873
H7	-1.566	-0.672	-0.873

	C1	C2	O3	H4	H5	H6	H7
C1		1.4968	1.1922	1.0996	2.1332	2.1210	2.1210
C2	1.4968		2.3836	2.2055	1.0809	1.0858	1.0858
O3	1.1922	2.3836		1.9861	2.5531	3.0786	3.0786
H4	1.0996	2.2055	1.9861		3.0892	2.5300	2.5300
H5	2.1332	1.0809	2.5531	3.0892		1.7761	1.7761
H6	2.1210	1.0858	3.0786	2.5300	1.7761		1.7468
H7	2.1210	1.0858	3.0786	2.5300	1.7761	1.7468

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.668	C1	C2	H6	109.392
C1	C2	H7	109.392	C2	C1	O3	124.465
C2	C1	H4	115.455	O3	C1	H4	120.080
H5	C2	H6	110.109	H5	C2	H7	110.109
H6	C2	H7	107.097

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: CID/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)