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	hartrees
Energy at 0K	-116.620029
Energy at 298.15K	-116.624125
HF Energy	-116.397545
Nuclear repulsion energy	63.535433

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3278	3164	1.80
2	A'	3150	3041	27.76
3	A'	3101	2993	14.97
4	A'	3027	2922	33.65
5	A'	1710	1650	3.43
6	A'	1536	1483	11.39
7	A'	1460	1410	5.03
8	A'	1329	1282	3.81
9	A'	1152	1112	7.46
10	A'	954	921	1.32
11	A'	841	812	13.62
12	A'	425	410	8.58
13	A"	3118	3010	33.96
14	A"	1526	1473	11.19
15	A"	1138	1098	4.26
16	A"	971	937	7.25
17	A"	689	665	91.57
18	A"	204	197	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.456	0.000
C2	1.317	0.357	0.000
C3	-0.983	-0.723	0.000
H4	-0.461	1.458	0.000
H5	2.161	1.045	0.000
H6	-0.442	-1.683	0.000
H7	-1.632	-0.682	0.893
H8	-1.632	-0.682	-0.893

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.3209	1.5348	1.1032	2.2399	2.1838	2.1807	2.1807
C2	1.3209		2.5410	2.0917	1.0888	2.6937	3.2519	3.2519
C3	1.5348	2.5410		2.2425	3.6069	1.1017	1.1047	1.1047
H4	1.1032	2.0917	2.2425		2.6545	3.1408	2.5976	2.5976
H5	2.2399	1.0888	3.6069	2.6545		3.7707	4.2623	4.2623
H6	2.1838	2.6937	1.1017	3.1408	3.7707		1.7930	1.7930
H7	2.1807	3.2519	1.1047	2.5976	4.2623	1.7930		1.7860
H8	2.1807	3.2519	1.1047	2.5976	4.2623	1.7930	1.7860

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	136.506	C1	C3	H6	110.784
C1	C3	H7	110.353	C1	C3	H8	110.353
C2	C1	C3	125.531	C2	C1	H4	119.002
C3	C1	H4	115.466	H6	C3	H7	108.705
H6	C3	H8	108.705	H7	C3	H8	107.866

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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