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	hartrees
Energy at 0K	-116.034535
Energy at 298.15K	-116.038630
HF Energy	-115.784062
Nuclear repulsion energy	64.050466

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3291	3075	2.48
2	A'	3169	2961	17.84
3	A'	3110	2906	8.47
4	A'	3087	2885	20.94
5	A'	1721	1608	0.29
6	A'	1594	1489	7.05
7	A'	1500	1402	2.99
8	A'	1372	1282	2.46
9	A'	1168	1091	11.04
10	A'	966	903	0.37
11	A'	857	801	11.14
12	A'	444	414	5.95
13	A"	3140	2934	22.03
14	A"	1593	1489	7.71
15	A"	1149	1074	1.10
16	A"	946	884	1.15
17	A"	667	623	60.81
18	A"	187	175	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.458	0.000
C2	1.306	0.346	0.000
C3	-0.975	-0.715	0.000
H4	-0.460	1.450	0.000
H5	2.138	1.035	0.000
H6	-0.430	-1.663	0.000
H7	-1.617	-0.678	0.887
H8	-1.617	-0.678	-0.887

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.3105	1.5257	1.0933	2.2140	2.1641	2.1660	2.1660
C2	1.3105		2.5155	2.0826	1.0801	2.6547	3.2212	3.2212
C3	1.5257	2.5155		2.2258	3.5709	1.0929	1.0953	1.0953
H4	1.0933	2.0826	2.2258		2.6307	3.1129	2.5793	2.5793
H5	2.2140	1.0801	3.5709	2.6307		3.7242	4.2210	4.2210
H6	2.1641	2.6547	1.0929	3.1129	3.7242		1.7789	1.7789
H7	2.1660	3.2212	1.0953	2.5793	4.2210	1.7789		1.7732
H8	2.1660	3.2212	1.0953	2.5793	4.2210	1.7789	1.7732

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	135.457	C1	C3	H6	110.375
C1	C3	H7	110.383	C1	C3	H8	110.383
C2	C1	C3	124.799	C2	C1	H4	119.804
C3	C1	H4	115.397	H6	C3	H7	108.773
H6	C3	H8	108.773	H7	C3	H8	108.095

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

using model chemistry: CISD/3-21G*

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/3-21G*

States and conformations

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