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	hartrees
Energy at 0K	-116.939710
Energy at 298.15K	-116.943829
HF Energy	-116.471774
Nuclear repulsion energy	64.872219

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3306	3151	1.47
2	A'	3187	3036	8.78
3	A'	3105	2959	6.41
4	A'	3077	2932	18.62
5	A'	1960	1868	12.20
6	A'	1510	1439	11.00
7	A'	1416	1349	2.50
8	A'	1291	1231	1.61
9	A'	1138	1085	3.52
10	A'	955	910	4.37
11	A'	821	782	14.49
12	A'	414	394	9.07
13	A"	3153	3005	9.13
14	A"	1507	1436	7.38
15	A"	1113	1060	4.61
16	A"	955	910	10.00
17	A"	677	645	63.99
18	A"	226	215	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.440	0.000
C2	1.282	0.363	0.000
C3	-0.957	-0.715	0.000
H4	-0.444	1.438	0.000
H5	2.118	1.040	0.000
H6	-0.422	-1.661	0.000
H7	-1.600	-0.673	0.879
H8	-1.600	-0.673	-0.879

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.2841	1.5000	1.0916	2.2016	2.1430	2.1383	2.1383
C2	1.2841		2.4848	2.0327	1.0761	2.6457	3.1863	3.1863
C3	1.5000	2.4848		2.2128	3.5408	1.0867	1.0898	1.0898
H4	1.0916	2.0327	2.2128		2.5925	3.0984	2.5621	2.5621
H5	2.2016	1.0761	3.5408	2.5925		3.7079	4.1875	4.1875
H6	2.1430	2.6457	1.0867	3.0984	3.7079		1.7709	1.7709
H7	2.1383	3.1863	1.0898	2.5621	4.1875	1.7709		1.7572
H8	2.1383	3.1863	1.0898	2.5621	4.1875	1.7709	1.7572

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	137.566	C1	C3	H6	110.870
C1	C3	H7	110.311	C1	C3	H8	110.311
C2	C1	C3	126.202	C2	C1	H4	117.424
C3	C1	H4	116.374	H6	C3	H7	108.906
H6	C3	H8	108.906	H7	C3	H8	107.456

All results from a given calculation for CH₃CHCH (1-propenyl radical)

using model chemistry: MP2/aug-cc-pVTZ

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 CH3CHCH (1-propenyl radical)

using model chemistry: MP2/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃CHCH (1-propenyl radical)