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	hartrees
Energy at 0K	-116.909829
Energy at 298.15K	-116.913946
HF Energy	-116.457988
Nuclear repulsion energy	64.682427

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3315	3145	0.45
2	A'	3198	3034	13.13
3	A'	3118	2957	10.07
4	A'	3087	2928	21.71
5	A'	1921	1822	6.58
6	A'	1511	1434	9.91
7	A'	1424	1350	2.63
8	A'	1295	1228	2.25
9	A'	1145	1086	5.44
10	A'	960	911	3.89
11	A'	836	793	16.36
12	A'	418	397	8.25
13	A"	3166	3003	16.23
14	A"	1504	1426	8.13
15	A"	1113	1056	4.12
16	A"	957	908	9.98
17	A"	677	642	63.62
18	A"	220	209	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.444	0.000
C2	1.286	0.358	0.000
C3	-0.960	-0.714	0.000
H4	-0.449	1.443	0.000
H5	2.123	1.040	0.000
H6	-0.422	-1.663	0.000
H7	-1.604	-0.674	0.883
H8	-1.604	-0.674	-0.883

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.2886	1.5043	1.0951	2.2049	2.1490	2.1452	2.1452
C2	1.2886		2.4884	2.0458	1.0797	2.6459	3.1930	3.1930
C3	1.5043	2.4884		2.2171	3.5468	1.0906	1.0936	1.0936
H4	1.0951	2.0458	2.2171		2.6027	3.1062	2.5681	2.5681
H5	2.2049	1.0797	3.5468	2.6027		3.7125	4.1960	4.1960
H6	2.1490	2.6459	1.0906	3.1062	3.7125		1.7764	1.7764
H7	2.1452	3.1930	1.0936	2.5681	4.1960	1.7764		1.7653
H8	2.1452	3.1930	1.0936	2.5681	4.1960	1.7764	1.7653

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	136.992	C1	C3	H6	110.810
C1	C3	H7	110.328	C1	C3	H8	110.328
C2	C1	C3	125.815	C2	C1	H4	118.011
C3	C1	H4	116.174	H6	C3	H7	108.837
H6	C3	H8	108.837	H7	C3	H8	107.623

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

using model chemistry: MP2=FULL/6-311G**

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/6-311G**

States and conformations

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