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	hartrees
Energy at 0K	-116.821998
Energy at 298.15K	-116.825987
HF Energy	-116.428492
Nuclear repulsion energy	64.026031

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3276	3120	2.79
2	A'	3160	3009	19.79
3	A'	3082	2935	13.91
4	A'	3064	2917	25.72
5	A'	1716	1634	1.08
6	A'	1539	1466	6.34
7	A'	1462	1392	1.69
8	A'	1314	1251	1.16
9	A'	1155	1100	7.17
10	A'	964	918	0.88
11	A'	850	810	15.11
12	A'	419	399	6.62
13	A"	3127	2978	24.45
14	A"	1534	1461	6.21
15	A"	1096	1044	1.47
16	A"	826	786	1.46
17	A"	627	597	52.11
18	A"	186	177	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.450	0.000
C2	1.316	0.326	0.000
C3	-0.983	-0.695	0.000
H4	-0.434	1.460	0.000
H5	2.158	1.008	0.000
H6	-0.459	-1.657	0.000
H7	-1.631	-0.651	0.885
H8	-1.631	-0.651	-0.885

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.3214	1.5089	1.0986	2.2293	2.1564	2.1577	2.1577
C2	1.3214		2.5148	2.0843	1.0843	2.6611	3.2279	3.2279
C3	1.5089	2.5148		2.2233	3.5731	1.0950	1.0979	1.0979
H4	1.0986	2.0843	2.2233		2.6310	3.1163	2.5829	2.5829
H5	2.2293	1.0843	3.5731	2.6310		3.7355	4.2302	4.2302
H6	2.1564	2.6611	1.0950	3.1163	3.7355		1.7796	1.7796
H7	2.1577	3.2279	1.0979	2.5829	4.2302	1.7796		1.7701
H8	2.1577	3.2279	1.0979	2.5829	4.2302	1.7796	1.7701

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	135.620	C1	C3	H6	110.811
C1	C3	H7	110.744	C1	C3	H8	110.744
C2	C1	C3	125.245	C2	C1	H4	118.642
C3	C1	H4	116.113	H6	C3	H7	108.495
H6	C3	H8	108.495	H7	C3	H8	107.442

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

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

States and conformations

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