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	hartrees
Energy at 0K	-153.650132
Energy at 298.15K
HF Energy	-152.980736
Nuclear repulsion energy	69.708373

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3158	3158
2	A	3106	3106
3	A	3039	3039
4	A	2919	2919
5	A	1787	1787
6	A	1484	1484
7	A	1470	1470
8	A	1434	1434
9	A	1389	1389
10	A	1138	1138
11	A	1138	1138
12	A	897	897
13	A	779	779
14	A	504	504
15	A	156	156

Atom	x (Å)	y (Å)	z (Å)
C1	0.231	0.402	0.000
C2	-1.168	-0.149	0.000
O3	1.233	-0.278	-0.000
H4	0.307	1.504	0.000
H5	-1.147	-1.235	0.001
H6	-1.702	0.219	0.877
H7	-1.701	0.218	-0.878

	C1	C2	O3	H4	H5	H6	H7
C1		1.5037	1.2100	1.1051	2.1397	2.1306	2.1306
C2	1.5037		2.4041	2.2155	1.0863	1.0911	1.0911
O3	1.2100	2.4041		2.0078	2.5650	3.1028	3.1023
H4	1.1051	2.2155	2.0078		3.1012	2.5408	2.5415
H5	2.1397	1.0863	2.5650	3.1012		1.7865	1.7865
H6	2.1306	1.0911	3.1028	2.5408	1.7865		1.7559
H7	2.1306	1.0911	3.1023	2.5415	1.7865	1.7559

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.371	C1	C2	H6	109.363
C1	C2	H7	109.363	C2	C1	O3	124.373
C2	C1	H4	115.417	O3	C1	H4	120.211
H5	C2	H6	110.264	H5	C2	H7	110.264
H6	C2	H7	107.152

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: QCISD(T)=FULL/Def2TZVPP

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(T)=FULL/Def2TZVPP

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)