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	hartrees
Energy at 0K	-116.055031
Energy at 298.15K	-116.059145
HF Energy	-115.783252
Nuclear repulsion energy	64.036370

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3243	3153	2.09
2	A'	3120	3034	17.26
3	A'	3063	2978	8.51
4	A'	3038	2954	19.45
5	A'	1768	1719	0.55
6	A'	1574	1531	6.76
7	A'	1476	1436	2.96
8	A'	1363	1325	2.73
9	A'	1151	1119	10.92
10	A'	955	929	0.36
11	A'	847	823	11.72
12	A'	441	429	6.23
13	A"	3093	3007	21.30
14	A"	1570	1527	7.49
15	A"	1148	1117	1.56
16	A"	977	950	2.63
17	A"	678	659	61.39
18	A"	194	189	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.457	0.000
C2	1.299	0.362	0.000
C3	-0.968	-0.727	0.000
H4	-0.474	1.448	0.000
H5	2.129	1.059	0.000
H6	-0.412	-1.673	0.000
H7	-1.612	-0.694	0.890
H8	-1.612	-0.694	-0.890

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.3022	1.5297	1.0979	2.2126	2.1696	2.1721	2.1721
C2	1.3022		2.5149	2.0788	1.0843	2.6583	3.2222	3.2222
C3	1.5297	2.5149		2.2299	3.5754	1.0972	1.0995	1.0995
H4	1.0979	2.0788	2.2299		2.6322	3.1210	2.5836	2.5836
H5	2.2126	1.0843	3.5754	2.6322		3.7310	4.2268	4.2268
H6	2.1696	2.6583	1.0972	3.1210	3.7310		1.7865	1.7865
H7	2.1721	3.2222	1.0995	2.5836	4.2268	1.7865		1.7809
H8	2.1721	3.2222	1.0995	2.5836	4.2268	1.7865	1.7809

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	135.801	C1	C3	H6	110.274
C1	C3	H7	110.343	C1	C3	H8	110.343
C2	C1	C3	125.072	C2	C1	H4	119.782
C3	C1	H4	115.146	H6	C3	H7	108.831
H6	C3	H8	108.831	H7	C3	H8	108.165

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

using model chemistry: CCD/3-21G

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/3-21G

States and conformations

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