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	hartrees
Energy at 0K	-153.430846
Energy at 298.15K
HF Energy	-152.926038
Nuclear repulsion energy	68.940446

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3178	3073
2	A	3134	3030
3	A	3050	2949
4	A	2892	2797
5	A	1770	1712
6	A	1467	1418
7	A	1453	1405
8	A	1413	1367
9	A	1369	1324
10	A	1124	1087
11	A	1119	1082
12	A	892	863
13	A	769	744
14	A	496	480
15	A	165	160

Atom	x (Å)	y (Å)	z (Å)
C1	0.233	0.404	0.000
C2	-1.179	-0.151	0.000
O3	1.247	-0.278	-0.000
H4	0.293	1.528	0.000
H5	-1.154	-1.254	0.000
H6	-1.722	0.218	0.891
H7	-1.722	0.218	-0.891

	C1	C2	O3	H4	H5	H6	H7
C1		1.5172	1.2216	1.1260	2.1614	2.1570	2.1570
C2	1.5172		2.4291	2.2330	1.1030	1.1070	1.1070
O3	1.2216	2.4291		2.0427	2.5915	3.1395	3.1392
H4	1.1260	2.2330	2.0427		3.1357	2.5634	2.5637
H5	2.1614	1.1030	2.5915	3.1357		1.8119	1.8119
H6	2.1570	1.1070	3.1395	2.5634	1.8119		1.7824
H7	2.1570	1.1070	3.1392	2.5637	1.8119	1.7824

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.154	C1	C2	H6	109.566
C1	C2	H7	109.566	C2	C1	O3	124.623
C2	C1	H4	114.486	O3	C1	H4	120.891
H5	C2	H6	110.139	H5	C2	H7	110.139
H6	C2	H7	107.228

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: MP4/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: MP4/cc-pVDZ

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)