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	hartrees
Energy at 0K	-153.653118
Energy at 298.15K
HF Energy	-152.980196
Nuclear repulsion energy	69.588129

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3160	3160
2	A	3111	3111
3	A	3040	3040
4	A	2908	2908
5	A	1746	1746
6	A	1483	1483
7	A	1468	1468
8	A	1424	1424
9	A	1385	1385
10	A	1136	1136
11	A	1133	1133
12	A	893	893
13	A	775	775
14	A	500	500
15	A	155	155

Atom	x (Å)	y (Å)	z (Å)
C1	0.229	0.402	0.000
C2	-1.169	-0.150	0.000
O3	1.237	-0.277	-0.000
H4	0.301	1.506	0.000
H5	-1.148	-1.236	0.002
H6	-1.703	0.219	0.877
H7	-1.702	0.216	-0.879

	C1	C2	O3	H4	H5	H6	H7
C1		1.5035	1.2149	1.1062	2.1403	2.1303	2.1303
C2	1.5035		2.4091	2.2149	1.0865	1.0911	1.0911
O3	1.2149	2.4091		2.0132	2.5702	3.1078	3.1069
H4	1.1062	2.2149	2.0132		3.1018	2.5390	2.5400
H5	2.1403	1.0865	2.5702	3.1018		1.7867	1.7867
H6	2.1303	1.0911	3.1078	2.5390	1.7867		1.7558
H7	2.1303	1.0911	3.1069	2.5400	1.7867	1.7558

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.422	C1	C2	H6	109.347
C1	C2	H7	109.347	C2	C1	O3	124.467
C2	C1	H4	115.296	O3	C1	H4	120.237
H5	C2	H6	110.262	H5	C2	H7	110.262
H6	C2	H7	107.135

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: MP4=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: MP4=FULL/Def2TZVPP

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)