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	hartrees
Energy at 0K	-153.714793
Energy at 298.15K	-153.709879
HF Energy	-152.915965
Nuclear repulsion energy	70.311433

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'	3320	3128	15.74	53.09	0.70	0.82
2	A'	3206	3020	8.49	134.52	0.01	0.03
3	A'	3151	2969	116.63	100.35	0.45	0.62
4	A'	2032	1915	221.46	9.67	0.55	0.71
5	A'	1606	1514	15.30	20.74	0.72	0.84
6	A'	1566	1475	20.43	6.75	0.52	0.68
7	A'	1536	1447	7.04	3.39	0.75	0.86
8	A'	1231	1160	27.49	3.74	0.46	0.63
9	A'	965	909	4.51	7.55	0.31	0.47
10	A'	547	515	20.12	1.03	0.45	0.63
11	A"	3260	3072	18.07	73.40	0.75	0.86
12	A"	1616	1523	8.48	14.89	0.75	0.86
13	A"	1264	1191	1.54	0.68	0.75	0.86
14	A"	856	806	0.02	7.29	0.75	0.86
15	A"	152	144	1.85	0.97	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	110.247	C1	C2	H6	109.861
C1	C2	H7	109.861	C2	C1	O3	124.419
C2	C1	H4	115.356	O3	C1	H4	120.225
H5	C2	H6	109.833	H5	C2	H7	109.833
H6	C2	H7	107.153

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: G3

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: G3

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)