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	hartrees
Energy at 0K	-116.970356
Energy at 298.15K	-116.965222
HF Energy	-116.427786
Nuclear repulsion energy	64.085478

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3409	3409	4.81
2	A'	3275	3275	38.03
3	A'	3244	3244	12.77
4	A'	3179	3179	35.82
5	A'	1652	1652	2.64
6	A'	1596	1596	3.16
7	A'	1547	1547	1.58
8	A'	1346	1346	1.92
9	A'	1217	1217	6.85
10	A'	992	992	0.03
11	A'	906	906	11.61
12	A'	440	440	5.06
13	A"	3232	3232	38.23
14	A"	1619	1619	4.81
15	A"	1143	1143	1.59
16	A"	885	885	0.92
17	A"	639	639	44.14
18	A"	192	192	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.453	0.000
C2	1.323	0.312	0.000
C3	-0.988	-0.687	0.000
H4	-0.416	1.456	0.000
H5	2.147	1.002	0.000
H6	-0.481	-1.647	0.000
H7	-1.633	-0.641	0.877
H8	-1.633	-0.641	-0.877

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.3309	1.5083	1.0857	2.2162	2.1549	2.1522	2.1522
C2	1.3309		2.5175	2.0820	1.0746	2.6634	3.2273	3.2273
C3	1.5083	2.5175		2.2178	3.5607	1.0862	1.0895	1.0895
H4	1.0857	2.0820	2.2178		2.6032	3.1042	2.5782	2.5782
H5	2.2162	1.0746	3.5607	2.6032		3.7316	4.2138	4.2138
H6	2.1549	2.6634	1.0862	3.1042	3.7316		1.7631	1.7631
H7	2.1522	3.2273	1.0895	2.5782	4.2138	1.7631		1.7538
H8	2.1522	3.2273	1.0895	2.5782	4.2138	1.7631	1.7538

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	133.959	C1	C3	H6	111.276
C1	C3	H7	110.852	C1	C3	H8	110.852
C2	C1	C3	124.807	C2	C1	H4	118.626
C3	C1	H4	116.567	H6	C3	H7	108.265
H6	C3	H8	108.265	H7	C3	H8	107.185

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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