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	hartrees
Energy at 0K	-116.819976
Energy at 298.15K	-116.823959
HF Energy	-116.430883
Nuclear repulsion energy	63.785164

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3287	3287
2	A'	3201	3201
3	A'	3120	3120
4	A'	3083	3083
5	A'	1691	1691
6	A'	1484	1484
7	A'	1403	1403
8	A'	1266	1266
9	A'	1134	1134
10	A'	948	948
11	A'	834	834
12	A'	406	406
13	A"	3170	3170
14	A"	1482	1482
15	A"	1059	1059
16	A"	802	802
17	A"	614	614
18	A"	201	201

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.451	0.000
C2	1.322	0.314	0.000
C3	-0.990	-0.688	0.000
H4	-0.414	1.475	0.000
H5	2.177	0.994	0.000
H6	-0.473	-1.659	0.000
H7	-1.642	-0.637	0.889
H8	-1.642	-0.637	-0.889

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.3295	1.5091	1.1048	2.2442	2.1624	2.1609	2.1609
C2	1.3295		2.5204	2.0887	1.0924	2.6677	3.2375	3.2375
C3	1.5091	2.5204		2.2387	3.5865	1.1005	1.1034	1.1034
H4	1.1048	2.0887	2.2387		2.6355	3.1350	2.5999	2.5999
H5	2.2442	1.0924	3.5865	2.6355		3.7501	4.2470	4.2470
H6	2.1624	2.6677	1.1005	3.1350	3.7501		1.7894	1.7894
H7	2.1609	3.2375	1.1034	2.5999	4.2470	1.7894		1.7779
H8	2.1609	3.2375	1.1034	2.5999	4.2470	1.7894	1.7779

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	135.605	C1	C3	H6	110.946
C1	C3	H7	110.649	C1	C3	H8	110.649
C2	C1	C3	125.102	C2	C1	H4	117.902
C3	C1	H4	116.997	H6	C3	H7	108.569
H6	C3	H8	108.569	H7	C3	H8	107.351

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

using model chemistry: ROMP2/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: ROMP2/cc-pVDZ

States and conformations

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