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	hartrees
Energy at 0K	-153.358969
Energy at 298.15K	-153.362891
HF Energy	-152.913503
Nuclear repulsion energy	69.398636

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'	3237	3050	5.61	46.54	0.73	0.85
2	A'	3107	2927	1.65	108.26	0.01	0.03
3	A'	2993	2820	120.25	119.47	0.33	0.49
4	A'	1801	1697	97.78	4.22	0.59	0.74
5	A'	1527	1439	17.81	21.75	0.71	0.83
6	A'	1467	1383	12.95	10.70	0.55	0.71
7	A'	1439	1356	18.14	4.08	0.75	0.86
8	A'	1168	1100	21.98	3.63	0.48	0.65
9	A'	926	873	6.04	6.01	0.39	0.56
10	A'	515	485	13.13	1.27	0.45	0.62
11	A"	3187	3003	5.57	62.88	0.75	0.86
12	A"	1535	1446	10.70	14.84	0.75	0.86
13	A"	1170	1102	0.71	0.70	0.75	0.86
14	A"	799	753	1.01	8.00	0.75	0.86
15	A"	148	139	0.49	1.04	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.464	0.000
C2	-0.948	-0.700	0.000
O3	1.218	0.362	0.000
H4	-0.478	1.465	0.000
H5	-0.386	-1.635	0.000
H6	-1.596	-0.652	0.881
H7	-1.596	-0.652	-0.881

	C1	C2	O3	H4	H5	H6	H7
C1		1.5016	1.2224	1.1089	2.1339	2.1379	2.1379
C2	1.5016		2.4125	2.2158	1.0901	1.0948	1.0948
O3	1.2224	2.4125		2.0231	2.5610	3.1185	3.1185
H4	1.1089	2.2158	2.0231		3.1008	2.5517	2.5517
H5	2.1339	1.0901	2.5610	3.1008		1.7901	1.7901
H6	2.1379	1.0948	3.1185	2.5517	1.7901		1.7621
H7	2.1379	1.0948	3.1185	2.5517	1.7901	1.7621

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.828	C1	C2	H6	109.869
C1	C2	H7	109.869	C2	C1	O3	124.341
C2	C1	H4	115.340	O3	C1	H4	120.320
H5	C2	H6	110.030	H5	C2	H7	110.030
H6	C2	H7	107.179

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: MP2=FULL/6-31G*

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/6-31G*

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)