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	hartrees
Energy at 0K	-116.971782
Energy at 298.15K	-116.975890
HF Energy	-116.472189
Nuclear repulsion energy	64.702140

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3287	3146	0.71
2	A'	3161	3025	13.17
3	A'	3097	2964	7.86
4	A'	3062	2930	20.85
5	A'	1888	1807	9.83
6	A'	1516	1450	9.79
7	A'	1434	1372	2.21
8	A'	1305	1249	1.61
9	A'	1145	1096	3.78
10	A'	955	914	2.74
11	A'	825	790	15.10
12	A'	418	400	8.35
13	A"	3127	2992	13.50
14	A"	1513	1448	6.63
15	A"	1115	1067	4.53
16	A"	942	902	7.26
17	A"	671	642	60.50
18	A"	217	208	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.443	0.000
C2	1.288	0.359	0.000
C3	-0.961	-0.713	0.000
H4	-0.444	1.440	0.000
H5	2.126	1.034	0.000
H6	-0.429	-1.662	0.000
H7	-1.606	-0.672	0.880
H8	-1.606	-0.672	-0.880

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.2904	1.5037	1.0914	2.2070	2.1480	2.1434	2.1434
C2	1.2904		2.4915	2.0414	1.0769	2.6512	3.1947	3.1947
C3	1.5037	2.4915		2.2147	3.5480	1.0879	1.0910	1.0910
H4	1.0914	2.0414	2.2147		2.6020	3.1020	2.5658	2.5658
H5	2.2070	1.0769	3.5480	2.6020		3.7146	4.1966	4.1966
H6	2.1480	2.6512	1.0879	3.1020	3.7146		1.7716	1.7716
H7	2.1434	3.1947	1.0910	2.5658	4.1966	1.7716		1.7592
H8	2.1434	3.1947	1.0910	2.5658	4.1966	1.7716	1.7592

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	137.407	C1	C3	H6	110.944
C1	C3	H7	110.381	C1	C3	H8	110.381
C2	C1	C3	126.002	C2	C1	H4	117.733
C3	C1	H4	116.265	H6	C3	H7	108.794
H6	C3	H8	108.794	H7	C3	H8	107.457

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

using model chemistry: CCD/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: CCD/aug-cc-pVTZ

States and conformations

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