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	hartrees
Energy at 0K	-153.393514
Energy at 298.15K	-153.397456
HF Energy	-152.927019
Nuclear repulsion energy	69.245281

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3228	3068	5.80	52.54	0.74	0.85
2	A'	3090	2937	2.52	134.55	0.01	0.02
3	A'	2951	2805	140.86	156.13	0.31	0.48
4	A'	1800	1711	113.20	6.07	0.74	0.85
5	A'	1462	1389	16.91	19.04	0.67	0.80
6	A'	1433	1362	12.86	8.18	0.48	0.65
7	A'	1377	1308	18.18	3.53	0.70	0.82
8	A'	1137	1081	21.86	2.62	0.27	0.42
9	A'	909	864	5.37	5.95	0.40	0.58
10	A'	504	479	12.64	1.49	0.45	0.62
11	A"	3184	3026	5.61	68.45	0.75	0.86
12	A"	1476	1403	9.88	11.75	0.75	0.86
13	A"	1133	1077	0.36	1.44	0.75	0.86
14	A"	779	741	0.67	5.46	0.75	0.86
15	A"	171	163	0.31	1.04	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.464	0.000
C2	-0.942	-0.714	0.000
O3	1.215	0.378	0.000
H4	-0.503	1.465	0.000
H5	-0.374	-1.655	0.000
H6	-1.595	-0.665	0.887
H7	-1.595	-0.665	-0.887

	C1	C2	O3	H4	H5	H6	H7
C1		1.5080	1.2179	1.1204	2.1512	2.1460	2.1460
C2	1.5080		2.4171	2.2226	1.0985	1.1026	1.1026
O3	1.2179	2.4171		2.0331	2.5798	3.1257	3.1257
H4	1.1204	2.2226	2.0331		3.1221	2.5525	2.5525
H5	2.1512	1.0985	2.5798	3.1221		1.8046	1.8046
H6	2.1460	1.1026	3.1257	2.5525	1.8046		1.7735
H7	2.1460	1.1026	3.1257	2.5525	1.8046	1.7735

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.254	C1	C2	H6	109.594
C1	C2	H7	109.594	C2	C1	O3	124.587
C2	C1	H4	114.672	O3	C1	H4	120.741
H5	C2	H6	110.137	H5	C2	H7	110.137
H6	C2	H7	107.067

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: MP2=FULL/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: MP2=FULL/cc-pVDZ

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)