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	hartrees
Energy at 0K	-115.149544
Energy at 298.15K	-115.153500
HF Energy	-115.017496
Nuclear repulsion energy	63.593678

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3559	3163	1.53
2	A'	3542	3149	5.23
3	A'	3450	3066	9.29
4	A'	3368	2994	3.00
5	A'	1740	1547	2.32
6	A'	1673	1487	0.76
7	A'	1614	1435	5.06
8	A'	1394	1240	0.10
9	A'	1258	1118	5.27
10	A'	1029	915	1.00
11	A'	945	840	3.66
12	A'	440	391	2.36
13	A"	3533	3140	2.26
14	A"	1723	1531	1.87
15	A"	1200	1067	0.03
16	A"	1038	923	0.20
17	A"	693	616	14.48
18	A"	178	158	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.464	0.000
C2	1.310	0.357	0.000
C3	-0.970	-0.733	0.000
H4	-0.482	1.458	0.000
H5	2.105	1.113	0.000
H6	-0.419	-1.688	0.000
H7	-1.622	-0.706	0.892
H8	-1.622	-0.706	-0.892

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.3142	1.5403	1.1049	2.2026	2.1925	2.1897	2.1897
C2	1.3142		2.5265	2.1031	1.0975	2.6777	3.2435	3.2435
C3	1.5403	2.5265		2.2449	3.5861	1.1027	1.1052	1.1052
H4	1.1049	2.1031	2.2449		2.6091	3.1471	2.6038	2.6038
H5	2.2026	1.0975	3.5861	2.6091		3.7707	4.2419	4.2419
H6	2.1925	2.6777	1.1027	3.1471	3.7707		1.7909	1.7909
H7	2.1897	3.2435	1.1052	2.6038	4.2419	1.7909		1.7833
H8	2.1897	3.2435	1.1052	2.6038	4.2419	1.7909	1.7833

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	131.719	C1	C3	H6	111.024
C1	C3	H7	110.652	C1	C3	H8	110.652
C2	C1	C3	124.334	C2	C1	H4	120.523
C3	C1	H4	115.143	H6	C3	H7	108.419
H6	C3	H8	108.419	H7	C3	H8	107.563

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

using model chemistry: MP2=FULL/STO-3G

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: MP2=FULL/STO-3G

States and conformations

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