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	hartrees
Energy at 0K	-19.475100
Energy at 298.15K	-19.479193
HF Energy	-19.247010
Nuclear repulsion energy	35.387324

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3205	3128	3.11
2	A'	3097	3022	30.96
3	A'	3049	2976	14.23
4	A'	2974	2903	39.39
5	A'	1675	1635	3.81
6	A'	1527	1490	8.95
7	A'	1458	1423	3.71
8	A'	1317	1285	2.57
9	A'	1150	1122	5.80
10	A'	947	924	0.79
11	A'	849	828	13.41
12	A'	423	413	7.41
13	A"	3068	2994	34.44
14	A"	1505	1469	9.33
15	A"	1129	1102	7.77
16	A"	950	927	8.42
17	A"	680	664	78.83
18	A"	191	187	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.459	0.000
C2	1.320	0.351	0.000
C3	-0.986	-0.720	0.000
H4	-0.455	1.463	0.000
H5	2.163	1.042	0.000
H6	-0.443	-1.678	0.000
H7	-1.634	-0.682	0.892
H8	-1.634	-0.682	-0.892

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.3243	1.5372	1.1021	2.2399	2.1824	2.1833	2.1833
C2	1.3243		2.5424	2.0948	1.0899	2.6877	3.2537	3.2537
C3	1.5372	2.5424		2.2465	3.6082	1.1005	1.1033	1.1033
H4	1.1021	2.0948	2.2465		2.6519	3.1404	2.6042	2.6042
H5	2.2399	1.0899	3.6082	2.6519		3.7665	4.2638	4.2638
H6	2.1824	2.6877	1.1005	3.1404	3.7665		1.7906	1.7906
H7	2.1833	3.2537	1.1033	2.6042	4.2638	1.7906		1.7843
H8	2.1833	3.2537	1.1033	2.6042	4.2638	1.7906	1.7843

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	135.972	C1	C3	H6	110.564
C1	C3	H7	110.466	C1	C3	H8	110.466
C2	C1	C3	125.201	C2	C1	H4	119.105
C3	C1	H4	115.694	H6	C3	H7	108.676
H6	C3	H8	108.676	H7	C3	H8	107.919

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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