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	hartrees
Energy at 0K	-116.877088
Energy at 298.15K	-116.881104
HF Energy	-116.439159
Nuclear repulsion energy	63.531909

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3247	3178
2	A'	3151	3084
3	A'	3067	3002
4	A'	3045	2980
5	A'	1678	1643
6	A'	1482	1450
7	A'	1395	1366
8	A'	1264	1237
9	A'	1126	1102
10	A'	942	922
11	A'	830	812
12	A'	411	403
13	A"	3116	3050
14	A"	1480	1449
15	A"	1058	1036
16	A"	800	783
17	A"	602	590
18	A"	229	224

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.452	0.000
C2	1.328	0.320	0.000
C3	-0.993	-0.694	0.000
H4	-0.426	1.476	0.000
H5	2.182	1.007	0.000
H6	-0.472	-1.668	0.000
H7	-1.647	-0.643	0.892
H8	-1.647	-0.643	-0.892

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.3343	1.5163	1.1086	2.2512	2.1716	2.1694	2.1694
C2	1.3343		2.5326	2.0998	1.0957	2.6815	3.2512	3.2512
C3	1.5163	2.5326		2.2426	3.6015	1.1042	1.1072	1.1072
H4	1.1086	2.0998	2.2426		2.6492	3.1436	2.6030	2.6030
H5	2.2512	1.0957	3.6015	2.6492		3.7675	4.2630	4.2630
H6	2.1716	2.6815	1.1042	3.1436	3.7675		1.7959	1.7959
H7	2.1694	3.2512	1.1072	2.6030	4.2630	1.7959		1.7845
H8	2.1694	3.2512	1.1072	2.6030	4.2630	1.7959	1.7845

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	135.542	C1	C3	H6	110.951
C1	C3	H7	110.596	C1	C3	H8	110.596
C2	C1	C3	125.236	C2	C1	H4	118.244
C3	C1	H4	116.520	H6	C3	H7	108.604
H6	C3	H8	108.604	H7	C3	H8	107.384

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

using model chemistry: CCSD(T)/cc-pVDZ

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(T)/cc-pVDZ

States and conformations

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