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	hartrees
Energy at 0K	-116.869995
Energy at 298.15K	-116.873989
HF Energy	-116.460860
Nuclear repulsion energy	64.400971

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3308	3308
2	A'	3194	3194
3	A'	3117	3117
4	A'	3086	3086
5	A'	1692	1692
6	A'	1515	1515
7	A'	1433	1433
8	A'	1291	1291
9	A'	1143	1143
10	A'	951	951
11	A'	836	836
12	A'	414	414
13	A"	3163	3163
14	A"	1497	1497
15	A"	1077	1077
16	A"	806	806
17	A"	621	621
18	A"	192	192

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.450	0.000
C2	1.307	0.322	0.000
C3	-0.979	-0.689	0.000
H4	-0.420	1.457	0.000
H5	2.156	0.984	0.000
H6	-0.460	-1.646	0.000
H7	-1.621	-0.643	0.881
H8	-1.621	-0.643	-0.881

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.3128	1.5018	1.0921	2.2217	2.1452	2.1443	2.1443
C2	1.3128		2.4992	2.0668	1.0775	2.6442	3.2059	3.2059
C3	1.5018	2.4992		2.2184	3.5541	1.0882	1.0909	1.0909
H4	1.0921	2.0668	2.2184		2.6199	3.1036	2.5751	2.5751
H5	2.2217	1.0775	3.5541	2.6199		3.7097	4.2064	4.2064
H6	2.1452	2.6442	1.0882	3.1036	3.7097		1.7690	1.7690
H7	2.1443	3.2059	1.0909	2.5751	4.2064	1.7690		1.7614
H8	2.1443	3.2059	1.0909	2.5751	4.2064	1.7690	1.7614

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	136.489	C1	C3	H6	110.828
C1	C3	H7	110.587	C1	C3	H8	110.587
C2	C1	C3	125.096	C2	C1	H4	118.217
C3	C1	H4	116.687	H6	C3	H7	108.537
H6	C3	H8	108.537	H7	C3	H8	107.668

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

using model chemistry: ROMP2/TZVP

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/TZVP

States and conformations

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