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	hartrees
Energy at 0K	-117.020829
Energy at 298.15K	-117.024883
HF Energy	-116.472040
Nuclear repulsion energy	64.611398

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3297	3126	0.20
2	A'	3155	2991	16.00
3	A'	3096	2936	9.07
4	A'	3076	2916	22.75
5	A'	1723	1634	2.40
6	A'	1519	1440	8.43
7	A'	1434	1360	1.96
8	A'	1304	1236	1.32
9	A'	1143	1084	4.66
10	A'	957	907	1.60
11	A'	827	784	15.86
12	A'	417	396	7.15
13	A"	3122	2960	17.49
14	A"	1518	1439	6.14
15	A"	1090	1034	2.99
16	A"	856	812	1.26
17	A"	640	607	56.53
18	A"	208	197	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.446	0.000
C2	1.302	0.330	0.000
C3	-0.974	-0.692	0.000
H4	-0.426	1.444	0.000
H5	2.147	0.989	0.000
H6	-0.456	-1.645	0.000
H7	-1.616	-0.646	0.877
H8	-1.616	-0.646	-0.877

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.3075	1.4979	1.0858	2.2150	2.1394	2.1382	2.1382
C2	1.3075		2.4959	2.0563	1.0712	2.6445	3.2001	3.2001
C3	1.4979	2.4959		2.2055	3.5456	1.0844	1.0875	1.0875
H4	1.0858	2.0563	2.2055		2.6134	3.0890	2.5599	2.5599
H5	2.2150	1.0712	3.5456	2.6134		3.7032	4.1960	4.1960
H6	2.1394	2.6445	1.0844	3.0890	3.7032		1.7641	1.7641
H7	2.1382	3.2001	1.0875	2.5599	4.1960	1.7641		1.7533
H8	2.1382	3.2001	1.0875	2.5599	4.1960	1.7641	1.7533

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	137.015	C1	C3	H6	110.867
C1	C3	H7	110.589	C1	C3	H8	110.589
C2	C1	C3	125.530	C2	C1	H4	118.159
C3	C1	H4	116.311	H6	C3	H7	108.630
H6	C3	H8	108.630	H7	C3	H8	107.435

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

using model chemistry: CCSD=FULL/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: CCSD=FULL/cc-pVTZ

States and conformations

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