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	hartrees
Energy at 0K	-116.772237
Energy at 298.15K	-116.776358
HF Energy	-116.428096
Nuclear repulsion energy	64.564572

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3357	3101	1.36
2	A'	3235	2988	18.44
3	A'	3173	2931	13.00
4	A'	3134	2895	24.61
5	A'	1822	1683	2.77
6	A'	1570	1450	7.36
7	A'	1494	1380	2.02
8	A'	1351	1248	1.81
9	A'	1186	1095	7.49
10	A'	986	911	1.46
11	A'	878	811	15.75
12	A'	433	400	7.10
13	A"	3199	2955	22.84
14	A"	1564	1445	7.01
15	A"	1142	1055	2.21
16	A"	952	879	4.78
17	A"	677	626	55.45
18	A"	207	191	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.447	0.000
C2	1.295	0.344	0.000
C3	-0.966	-0.705	0.000
H4	-0.443	1.445	0.000
H5	2.126	1.031	0.000
H6	-0.436	-1.657	0.000
H7	-1.612	-0.667	0.880
H8	-1.612	-0.667	-0.880

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.2994	1.5035	1.0919	2.2052	2.1486	2.1477	2.1477
C2	1.2994		2.4928	2.0576	1.0784	2.6461	3.2010	3.2010
C3	1.5035	2.4928		2.2127	3.5465	1.0892	1.0923	1.0923
H4	1.0919	2.0576	2.2127		2.6027	3.1018	2.5689	2.5689
H5	2.2052	1.0784	3.5465	2.6027		3.7139	4.1989	4.1989
H6	2.1486	2.6461	1.0892	3.1018	3.7139		1.7711	1.7711
H7	2.1477	3.2010	1.0923	2.5689	4.1989	1.7711		1.7605
H8	2.1477	3.2010	1.0923	2.5689	4.1989	1.7711	1.7605

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	135.881	C1	C3	H6	110.924
C1	C3	H7	110.658	C1	C3	H8	110.658
C2	C1	C3	125.436	C2	C1	H4	118.485
C3	C1	H4	116.079	H6	C3	H7	108.555
H6	C3	H8	108.555	H7	C3	H8	107.382

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

using model chemistry: CID/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: CID/6-31G*

States and conformations

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