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	hartrees
Energy at 0K	-116.834706
Energy at 298.15K	-116.838701
HF Energy	-116.428516
Nuclear repulsion energy	64.093393

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3281	3116	2.58
2	A'	3165	3006	19.06
3	A'	3086	2931	13.87
4	A'	3068	2914	24.85
5	A'	1721	1635	1.04
6	A'	1540	1463	6.51
7	A'	1464	1391	1.75
8	A'	1316	1250	1.10
9	A'	1157	1099	7.17
10	A'	966	918	0.94
11	A'	850	808	15.21
12	A'	420	399	6.60
13	A"	3131	2974	23.57
14	A"	1536	1459	6.38
15	A"	1098	1043	1.38
16	A"	829	787	1.43
17	A"	628	597	52.34
18	A"	187	177	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.450	0.000
C2	1.314	0.325	0.000
C3	-0.982	-0.693	0.000
H4	-0.433	1.459	0.000
H5	2.158	1.004	0.000
H6	-0.459	-1.655	0.000
H7	-1.630	-0.650	0.884
H8	-1.630	-0.650	-0.884

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.3196	1.5070	1.0980	2.2283	2.1546	2.1558	2.1558
C2	1.3196		2.5110	2.0823	1.0838	2.6577	3.2241	3.2241
C3	1.5070	2.5110		2.2215	3.5694	1.0943	1.0973	1.0973
H4	1.0980	2.0823	2.2215		2.6307	3.1143	2.5811	2.5811
H5	2.2283	1.0838	3.5694	2.6307		3.7312	4.2268	4.2268
H6	2.1546	2.6577	1.0943	3.1143	3.7312		1.7785	1.7785
H7	2.1558	3.2241	1.0973	2.5811	4.2268	1.7785		1.7688
H8	2.1558	3.2241	1.0973	2.5811	4.2268	1.7785	1.7688

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	135.764	C1	C3	H6	110.839
C1	C3	H7	110.757	C1	C3	H8	110.757
C2	C1	C3	125.204	C2	C1	H4	118.648
C3	C1	H4	116.148	H6	C3	H7	108.481
H6	C3	H8	108.481	H7	C3	H8	107.414

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

using model chemistry: CCSD=FULL/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: CCSD=FULL/6-31G*

States and conformations

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