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	hartrees
Energy at 0K	-153.480793
Energy at 298.15K
HF Energy	-152.970485
Nuclear repulsion energy	69.696483

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3185	3040	11.52
2	A'	3067	2927	4.30
3	A'	2969	2834	109.29
4	A'	1829	1746	144.65
5	A'	1497	1429	17.22
6	A'	1469	1402	10.30
7	A'	1421	1356	13.57
8	A'	1156	1103	22.76
9	A'	909	867	6.27
10	A'	520	497	13.74
11	A"	3136	2993	11.68
12	A"	1495	1426	9.45
13	A"	1156	1103	0.01
14	A"	793	757	0.13
15	A"	153	146	1.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.464	0.000
C2	-0.936	-0.715	0.000
O3	1.205	0.379	0.000
H4	-0.487	1.456	0.000
H5	-0.373	-1.647	0.000
H6	-1.582	-0.667	0.881
H7	-1.582	-0.667	-0.881

	C1	C2	O3	H4	H5	H6	H7
C1		1.5051	1.2081	1.1058	2.1429	2.1344	2.1344
C2	1.5051		2.4046	2.2172	1.0885	1.0932	1.0932
O3	1.2081	2.4046		2.0061	2.5679	3.1042	3.1042
H4	1.1058	2.2172	2.0061		3.1049	2.5461	2.5461
H5	2.1429	1.0885	2.5679	3.1049		1.7876	1.7876
H6	2.1344	1.0932	3.1042	2.5461	1.7876		1.7621
H7	2.1344	1.0932	3.1042	2.5461	1.7876	1.7621

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.397	C1	C2	H6	109.447
C1	C2	H7	109.447	C2	C1	O3	124.446
C2	C1	H4	115.400	O3	C1	H4	120.154
H5	C2	H6	110.043	H5	C2	H7	110.043
H6	C2	H7	107.407

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: CCSD/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: CCSD/TZVP

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)