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	hartrees
Energy at 0K	-116.977684
Energy at 298.15K	-116.981839
HF Energy	-116.470527
Nuclear repulsion energy	65.129928

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3334	3165	1.27
2	A'	3195	3034	9.49
3	A'	3124	2966	7.01
4	A'	3099	2942	18.46
5	A'	1977	1877	8.97
6	A'	1516	1439	10.67
7	A'	1419	1347	2.67
8	A'	1307	1241	1.89
9	A'	1145	1087	4.44
10	A'	964	915	4.48
11	A'	830	788	16.37
12	A'	420	399	8.78
13	A"	3163	3003	10.83
14	A"	1514	1437	7.55
15	A"	1122	1065	3.59
16	A"	966	917	8.96
17	A"	690	655	63.73
18	A"	237	225	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.439	0.000
C2	1.278	0.360	0.000
C3	-0.954	-0.710	0.000
H4	-0.443	1.430	0.000
H5	2.113	1.028	0.000
H6	-0.421	-1.652	0.000
H7	-1.595	-0.670	0.875
H8	-1.595	-0.670	-0.875

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.2801	1.4935	1.0856	2.1938	2.1336	2.1309	2.1309
C2	1.2801		2.4747	2.0264	1.0700	2.6334	3.1749	3.1749
C3	1.4935	2.4747		2.2006	3.5254	1.0826	1.0859	1.0859
H4	1.0856	2.0264	2.2006		2.5875	3.0829	2.5505	2.5505
H5	2.1938	1.0700	3.5254	2.5875		3.6890	4.1716	4.1716
H6	2.1336	2.6334	1.0826	3.0829	3.6890		1.7636	1.7636
H7	2.1309	3.1749	1.0859	2.5505	4.1716	1.7636		1.7505
H8	2.1309	3.1749	1.0859	2.5505	4.1716	1.7636	1.7505

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	137.782	C1	C3	H6	110.824
C1	C3	H7	110.412	C1	C3	H8	110.412
C2	C1	C3	126.138	C2	C1	H4	117.630
C3	C1	H4	116.233	H6	C3	H7	108.840
H6	C3	H8	108.840	H7	C3	H8	107.427

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

using model chemistry: MP2=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

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