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	hartrees
Energy at 0K	-116.874165
Energy at 298.15K	-116.878208
HF Energy	-116.438813
Nuclear repulsion energy	64.014592

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3273	3159
2	A'	3169	3058
3	A'	3090	2982
4	A'	3056	2950
5	A'	1865	1800
6	A'	1480	1428
7	A'	1406	1357
8	A'	1274	1230
9	A'	1131	1091
10	A'	944	911
11	A'	828	799
12	A'	403	389
13	A"	3136	3027
14	A"	1476	1424
15	A"	1084	1047
16	A"	909	878
17	A"	669	645
18	A"	201	194

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.446	0.000
C2	1.303	0.352	0.000
C3	-0.972	-0.714	0.000
H4	-0.446	1.460	0.000
H5	2.147	1.049	0.000
H6	-0.437	-1.677	0.000
H7	-1.625	-0.670	0.891
H8	-1.625	-0.670	-0.891

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.3069	1.5134	1.1073	2.2298	2.1677	2.1637	2.1637
C2	1.3069		2.5129	2.0709	1.0938	2.6731	3.2274	3.2274
C3	1.5134	2.5129		2.2358	3.5825	1.1024	1.1054	1.1054
H4	1.1073	2.0709	2.2358		2.6257	3.1366	2.5921	2.5921
H5	2.2298	1.0938	3.5825	2.6257		3.7554	4.2399	4.2399
H6	2.1677	2.6731	1.1024	3.1366	3.7554		1.7946	1.7946
H7	2.1637	3.2274	1.1054	2.5921	4.2399	1.7946		1.7820
H8	2.1637	3.2274	1.1054	2.5921	4.2399	1.7946	1.7820

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	136.322	C1	C3	H6	110.951
C1	C3	H7	110.446	C1	C3	H8	110.446
C2	C1	C3	125.844	C2	C1	H4	117.907
C3	C1	H4	116.249	H6	C3	H7	108.746
H6	C3	H8	108.746	H7	C3	H8	107.412

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

using model chemistry: MP4=FULL/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=FULL/cc-pVDZ

States and conformations

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