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	hartrees
Energy at 0K	-192.669415
Energy at 298.15K	-192.675831
HF Energy	-192.002147
Nuclear repulsion energy	118.428922

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3157	3015	22.60
2	A'	3077	2939	15.64
3	A'	3056	2919	26.53
4	A'	2950	2817	123.93
5	A'	1868	1784	116.55
6	A'	1525	1457	7.55
7	A'	1488	1422	8.14
8	A'	1456	1390	11.86
9	A'	1441	1376	4.48
10	A'	1399	1336	7.40
11	A'	1138	1087	13.55
12	A'	1021	975	0.84
13	A'	878	839	17.87
14	A'	682	651	8.58
15	A'	265	253	8.09
16	A"	3160	3018	24.75
17	A"	3091	2952	11.86
18	A"	1521	1453	5.96
19	A"	1303	1245	0.49
20	A"	1170	1118	0.46
21	A"	918	877	1.20
22	A"	692	661	1.90
23	A"	247	236	0.37
24	A"	142	135	2.68

Atom	x (Å)	y (Å)	z (Å)
C1	1.453	0.448	0.000
C2	0.000	0.920	0.000
C3	-1.002	-0.217	0.000
O4	-0.706	-1.383	0.000
H5	2.136	1.302	0.000
H6	1.659	-0.165	0.882
H7	1.659	-0.165	-0.882
H8	-0.220	1.547	0.876
H9	-0.220	1.547	-0.876
H10	-2.068	0.095	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5275	2.5428	2.8309	1.0944	1.0938	1.0938	2.1847	2.1847	3.5385
C2	1.5275		1.5152	2.4092	2.1701	2.1697	2.1697	1.0994	1.0994	2.2266
C3	2.5428	1.5152		1.2034	3.4864	2.8036	2.8036	2.1188	2.1188	1.1112
O4	2.8309	2.4092	1.2034		3.9107	2.8029	2.8029	3.0968	3.0968	2.0103
H5	1.0944	2.1701	3.4864	3.9107		1.7777	1.7777	2.5254	2.5254	4.3742
H6	1.0938	2.1697	2.8036	2.8029	1.7777		1.7644	2.5419	3.0906	3.8390
H7	1.0938	2.1697	2.8036	2.8029	1.7777	1.7644		3.0906	2.5419	3.8390
H8	2.1847	1.0994	2.1188	3.0968	2.5254	2.5419	3.0906		1.7518	2.5081
H9	2.1847	1.0994	2.1188	3.0968	2.5254	3.0906	2.5419	1.7518		2.5081
H10	3.5385	2.2266	1.1112	2.0103	4.3742	3.8390	3.8390	2.5081	2.5081

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	113.382	C1	C2	H8	111.501
C1	C2	H9	111.501	C2	C1	H5	110.635
C2	C1	H6	110.640	C2	C1	H7	110.640
C2	C3	O4	124.398	C2	C3	H10	115.076
C3	C2	H8	107.195	C3	C2	H9	107.195
O4	C3	H10	120.526	H5	C1	H6	108.659
H5	C1	H7	108.659	H6	C1	H7	107.516
H8	C2	H9	105.634

All results from a given calculation for CH₃CH₂CHO (Propanal)

using model chemistry: CCD/6-311G**

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 CH3CH2CHO (Propanal)

using model chemistry: CCD/6-311G**

States and conformations

All results from a given calculation for CH₃CH₂CHO (Propanal)