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	hartrees
Energy at 0K	-116.895523
Energy at 298.15K
HF Energy	-116.442717
Nuclear repulsion energy	63.981815

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.445	0.000
C2	1.305	0.355	0.000
C3	-0.974	-0.716	0.000
H4	-0.444	1.458	0.000
H5	2.147	1.050	0.000
H6	-0.439	-1.678	0.000
H7	-1.625	-0.670	0.891
H8	-1.625	-0.670	-0.891

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.3082	1.5155	1.1058	2.2308	2.1679	2.1629	2.1629
C2	1.3082		2.5182	2.0675	1.0920	2.6782	3.2295	3.2295
C3	1.5155	2.5182		2.2377	3.5863	1.1011	1.1044	1.1044
H4	1.1058	2.0675	2.2377		2.6228	3.1360	2.5920	2.5920
H5	2.2308	1.0920	3.5863	2.6228		3.7587	4.2405	4.2405
H6	2.1679	2.6782	1.1011	3.1360	3.7587		1.7938	1.7938
H7	2.1629	3.2295	1.1044	2.5920	4.2405	1.7938		1.7821
H8	2.1629	3.2295	1.1044	2.5920	4.2405	1.7938	1.7821

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	136.509	C1	C3	H6	110.898
C1	C3	H7	110.303	C1	C3	H8	110.303
C2	C1	C3	126.042	C2	C1	H4	117.605
C3	C1	H4	116.352	H6	C3	H7	108.840
H6	C3	H8	108.840	H7	C3	H8	107.574

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

using model chemistry: MP4=FULL/aug-cc-pVDZ

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: MP4=FULL/aug-cc-pVDZ

States and conformations

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