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	hartrees
Energy at 0K	-153.416121
Energy at 298.15K
HF Energy	-152.927115
Nuclear repulsion energy	69.173472

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3185	3056	9.52
2	A'	3060	2936	4.30
3	A'	2931	2812	136.05
4	A'	1832	1757	141.32
5	A'	1463	1403	15.29
6	A'	1433	1375	13.49
7	A'	1384	1328	11.23
8	A'	1135	1089	22.02
9	A'	904	867	4.86
10	A'	505	484	13.81
11	A"	3139	3012	10.25
12	A"	1475	1415	8.34
13	A"	1135	1089	0.32
14	A"	780	748	0.28
15	A"	167	160	0.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.466	0.000
C2	-0.939	-0.723	0.000
O3	1.212	0.387	0.000
H4	-0.510	1.466	0.000
H5	-0.363	-1.662	0.000
H6	-1.593	-0.679	0.890
H7	-1.593	-0.679	-0.890

	C1	C2	O3	H4	H5	H6	H7
C1		1.5151	1.2142	1.1226	2.1592	2.1546	2.1546
C2	1.5151		2.4199	2.2311	1.1018	1.1060	1.1060
O3	1.2142	2.4199		2.0318	2.5842	3.1299	3.1299
H4	1.1226	2.2311	2.0318		3.1322	2.5631	2.5631
H5	2.1592	1.1018	2.5842	3.1322		1.8094	1.8094
H6	2.1546	1.1060	3.1299	2.5631	1.8094		1.7809
H7	2.1546	1.1060	3.1299	2.5631	1.8094	1.7809

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.197	C1	C2	H6	109.592
C1	C2	H7	109.592	C2	C1	O3	124.547
C2	C1	H4	114.711	O3	C1	H4	120.742
H5	C2	H6	110.083	H5	C2	H7	110.083
H6	C2	H7	107.242

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: QCISD/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)