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	hartrees
Energy at 0K	-116.887645
Energy at 298.15K	-116.891678
HF Energy	-116.442635
Nuclear repulsion energy	63.927058

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3285	3210
2	A'	3162	3089
3	A'	3083	3011
4	A'	3059	2988
5	A'	1883	1839
6	A'	1538	1502
7	A'	1451	1418
8	A'	1322	1291
9	A'	1155	1129
10	A'	966	944
11	A'	850	830
12	A'	422	412
13	A"	3128	3055
14	A"	1531	1496
15	A"	1123	1097
16	A"	936	914
17	A"	673	657
18	A"	218	213

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.446	0.000
C2	1.306	0.356	0.000
C3	-0.975	-0.717	0.000
H4	-0.444	1.459	0.000
H5	2.148	1.053	0.000
H6	-0.438	-1.680	0.000
H7	-1.626	-0.671	0.892
H8	-1.626	-0.671	-0.892

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.3090	1.5171	1.1067	2.2322	2.1700	2.1648	2.1648
C2	1.3090		2.5206	2.0686	1.0930	2.6807	3.2323	3.2323
C3	1.5171	2.5206		2.2399	3.5895	1.1024	1.1053	1.1053
H4	1.1067	2.0686	2.2399		2.6237	3.1390	2.5942	2.5942
H5	2.2322	1.0930	3.5895	2.6237		3.7624	4.2441	4.2441
H6	2.1700	2.6807	1.1024	3.1390	3.7624		1.7959	1.7959
H7	2.1648	3.2323	1.1053	2.5942	4.2441	1.7959		1.7834
H8	2.1648	3.2323	1.1053	2.5942	4.2441	1.7959	1.7834

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	136.478	C1	C3	H6	110.874
C1	C3	H7	110.292	C1	C3	H8	110.292
C2	C1	C3	126.069	C2	C1	H4	117.573
C3	C1	H4	116.358	H6	C3	H7	108.873
H6	C3	H8	108.873	H7	C3	H8	107.555

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

using model chemistry: MP4/aug-cc-pVDZ

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: MP4/aug-cc-pVDZ

States and conformations

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