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	hartrees
Energy at 0K	-116.636621
Energy at 298.15K	-116.640713
HF Energy	-116.387588
Nuclear repulsion energy	63.869997

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3298	3093	3.34
2	A'	3161	2964	27.36
3	A'	3109	2916	14.26
4	A'	3070	2879	30.46
5	A'	1708	1602	0.91
6	A'	1573	1475	7.00
7	A'	1501	1407	2.59
8	A'	1361	1276	1.71
9	A'	1175	1101	8.18
10	A'	980	919	0.13
11	A'	864	810	13.38
12	A'	441	413	5.94
13	A"	3130	2935	30.55
14	A"	1565	1468	7.66
15	A"	1144	1073	1.95
16	A"	932	874	1.85
17	A"	668	626	59.30
18	A"	186	175	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.454	0.000
C2	1.317	0.338	0.000
C3	-0.983	-0.704	0.000
H4	-0.450	1.454	0.000
H5	2.160	1.018	0.000
H6	-0.453	-1.663	0.000
H7	-1.630	-0.667	0.886
H8	-1.630	-0.667	-0.886

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.3218	1.5190	1.0968	2.2325	2.1649	2.1676	2.1676
C2	1.3218		2.5250	2.0893	1.0833	2.6715	3.2372	3.2372
C3	1.5190	2.5250		2.2235	3.5840	1.0956	1.0982	1.0982
H4	1.0968	2.0893	2.2235		2.6456	3.1174	2.5840	2.5840
H5	2.2325	1.0833	3.5840	2.6456		3.7440	4.2414	4.2414
H6	2.1649	2.6715	1.0956	3.1174	3.7440		1.7791	1.7791
H7	2.1676	3.2372	1.0982	2.5840	4.2414	1.7791		1.7728
H8	2.1676	3.2372	1.0982	2.5840	4.2414	1.7791	1.7728

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	136.088	C1	C3	H6	110.742
C1	C3	H7	110.800	C1	C3	H8	110.800
C2	C1	C3	125.305	C2	C1	H4	119.215
C3	C1	H4	115.481	H6	C3	H7	108.381
H6	C3	H8	108.381	H7	C3	H8	107.629

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

using model chemistry: CISD/6-31G

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: CISD/6-31G

States and conformations

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