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	hartrees
Energy at 0K	-116.837157
Energy at 298.15K	-116.841280
HF Energy	-116.440165
Nuclear repulsion energy	64.754834

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3360	3156	0.53
2	A'	3243	3046	12.60
3	A'	3164	2972	9.69
4	A'	3126	2936	22.99
5	A'	1928	1810	9.56
6	A'	1540	1446	10.86
7	A'	1455	1367	2.39
8	A'	1322	1241	1.57
9	A'	1165	1095	3.74
10	A'	971	912	2.94
11	A'	861	808	14.38
12	A'	425	400	8.30
13	A"	3211	3016	13.06
14	A"	1528	1435	8.11
15	A"	1127	1058	6.77
16	A"	956	898	12.01
17	A"	680	639	74.55
18	A"	213	200	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.442	0.000
C2	1.289	0.354	0.000
C3	-0.962	-0.710	0.000
H4	-0.441	1.439	0.000
H5	2.117	1.041	0.000
H6	-0.429	-1.657	0.000
H7	-1.604	-0.669	0.879
H8	-1.604	-0.669	-0.879

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.2918	1.5010	1.0908	2.2004	2.1425	2.1400	2.1400
C2	1.2918		2.4900	2.0421	1.0761	2.6455	3.1920	3.1920
C3	1.5010	2.4900		2.2120	3.5426	1.0864	1.0891	1.0891
H4	1.0908	2.0421	2.2120		2.5891	3.0966	2.5633	2.5633
H5	2.2004	1.0761	3.5426	2.5891		3.7103	4.1888	4.1888
H6	2.1425	2.6455	1.0864	3.0966	3.7103		1.7688	1.7688
H7	2.1400	3.1920	1.0891	2.5633	4.1888	1.7688		1.7576
H8	2.1400	3.1920	1.0891	2.5633	4.1888	1.7688	1.7576

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	136.451	C1	C3	H6	110.778
C1	C3	H7	110.410	C1	C3	H8	110.410
C2	C1	C3	125.976	C2	C1	H4	117.736
C3	C1	H4	116.287	H6	C3	H7	108.790
H6	C3	H8	108.790	H7	C3	H8	107.581

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

using model chemistry: MP2=FULL/6-31+G**

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/6-31+G**

States and conformations

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