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	hartrees
Energy at 0K	-116.629501
Energy at 298.15K	-116.633534
HF Energy	-116.376822
Nuclear repulsion energy	63.613894

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3272	3272
2	A'	3156	3156
3	A'	3095	3095
4	A'	3057	3057
5	A'	1677	1677
6	A'	1566	1566
7	A'	1486	1486
8	A'	1348	1348
9	A'	1164	1164
10	A'	972	972
11	A'	860	860
12	A'	431	431
13	A"	3130	3130
14	A"	1559	1559
15	A"	1125	1125
16	A"	845	845
17	A"	638	638
18	A"	184	184

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.455	0.000
C2	1.328	0.324	0.000
C3	-0.994	-0.696	0.000
H4	-0.436	1.464	0.000
H5	2.176	1.002	0.000
H6	-0.466	-1.659	0.000
H7	-1.641	-0.655	0.888
H8	-1.641	-0.655	-0.888

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.3346	1.5211	1.0990	2.2439	2.1649	2.1709	2.1709
C2	1.3346		2.5362	2.1002	1.0859	2.6742	3.2499	3.2499
C3	1.5211	2.5362		2.2315	3.5963	1.0976	1.0997	1.0997
H4	1.0990	2.1002	2.2315		2.6525	3.1233	2.5944	2.5944
H5	2.2439	1.0859	3.5963	2.6525		3.7501	4.2549	4.2549
H6	2.1649	2.6742	1.0976	3.1233	3.7501		1.7825	1.7825
H7	2.1709	3.2499	1.0997	2.5944	4.2549	1.7825		1.7762
H8	2.1709	3.2499	1.0997	2.5944	4.2549	1.7825	1.7762

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	135.714	C1	C3	H6	110.483
C1	C3	H7	110.838	C1	C3	H8	110.838
C2	C1	C3	125.149	C2	C1	H4	118.995
C3	C1	H4	115.856	H6	C3	H7	108.431
H6	C3	H8	108.431	H7	C3	H8	107.721

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

using model chemistry: ROMP2/6-31G

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: ROMP2/6-31G

States and conformations

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