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	hartrees
Energy at 0K	-116.814969
Energy at 298.15K	-116.819059
HF Energy	-116.450520
Nuclear repulsion energy	64.468529

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3320	3072	0.61
2	A'	3206	2967	21.26
3	A'	3138	2904	14.00
4	A'	3109	2877	27.28
5	A'	1784	1651	3.19
6	A'	1552	1436	10.46
7	A'	1477	1367	2.98
8	A'	1333	1233	2.16
9	A'	1171	1084	6.44
10	A'	973	900	1.38
11	A'	862	797	16.77
12	A'	428	396	7.70
13	A"	3170	2934	24.84
14	A"	1547	1432	8.98
15	A"	1124	1040	3.33
16	A"	917	849	4.33
17	A"	662	612	66.25
18	A"	199	184	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.446	0.000
C2	1.299	0.345	0.000
C3	-0.969	-0.706	0.000
H4	-0.439	1.446	0.000
H5	2.129	1.034	0.000
H6	-0.444	-1.659	0.000
H7	-1.614	-0.665	0.879
H8	-1.614	-0.665	-0.879

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.3033	1.5056	1.0924	2.2089	2.1515	2.1479	2.1479
C2	1.3033		2.5004	2.0579	1.0783	2.6564	3.2067	3.2067
C3	1.5056	2.5004		2.2167	3.5535	1.0881	1.0914	1.0914
H4	1.0924	2.0579	2.2167		2.6013	3.1054	2.5712	2.5712
H5	2.2089	1.0783	3.5535	2.6013		3.7246	4.2039	4.2039
H6	2.1515	2.6564	1.0881	3.1054	3.7246		1.7695	1.7695
H7	2.1479	3.2067	1.0914	2.5712	4.2039	1.7695		1.7587
H8	2.1479	3.2067	1.0914	2.5712	4.2039	1.7695	1.7587

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	135.876	C1	C3	H6	111.069
C1	C3	H7	110.587	C1	C3	H8	110.587
C2	C1	C3	125.632	C2	C1	H4	118.144
C3	C1	H4	116.224	H6	C3	H7	108.563
H6	C3	H8	108.563	H7	C3	H8	107.360

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

using model chemistry: CISD/6-311G*

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/6-311G*

States and conformations

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