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	hartrees
Energy at 0K	-116.916957
Energy at 298.15K	-116.921016
HF Energy	-116.468065
Nuclear repulsion energy	64.566146

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3289	3167
2	A'	3153	3036
3	A'	3080	2965
4	A'	3050	2937
5	A'	1882	1812
6	A'	1510	1454
7	A'	1431	1378
8	A'	1301	1252
9	A'	1139	1097
10	A'	945	909
11	A'	834	803
12	A'	414	399
13	A"	3121	3005
14	A"	1486	1431
15	A"	1099	1058
16	A"	910	876
17	A"	673	648
18	A"	196	189

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.446	0.000
C2	1.289	0.359	0.000
C3	-0.962	-0.716	0.000
H4	-0.454	1.442	0.000
H5	2.125	1.043	0.000
H6	-0.424	-1.665	0.000
H7	-1.606	-0.677	0.884
H8	-1.606	-0.677	-0.884

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.2921	1.5081	1.0952	2.2070	2.1529	2.1490	2.1490
C2	1.2921		2.4948	2.0519	1.0793	2.6521	3.1991	3.1991
C3	1.5081	2.4948		2.2175	3.5524	1.0910	1.0939	1.0939
H4	1.0952	2.0519	2.2175		2.6091	3.1078	2.5688	2.5688
H5	2.2070	1.0793	3.5524	2.6091		3.7186	4.2015	4.2015
H6	2.1529	2.6521	1.0910	3.1078	3.7186		1.7759	1.7759
H7	2.1490	3.1991	1.0939	2.5688	4.2015	1.7759		1.7670
H8	2.1490	3.1991	1.0939	2.5688	4.2015	1.7759	1.7670

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	136.898	C1	C3	H6	110.831
C1	C3	H7	110.348	C1	C3	H8	110.348
C2	C1	C3	125.802	C2	C1	H4	118.291
C3	C1	H4	115.908	H6	C3	H7	108.746
H6	C3	H8	108.746	H7	C3	H8	107.742

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

using model chemistry: MP4/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: MP4/TZVP

States and conformations

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