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	hartrees
Energy at 0K	-156.144984
Energy at 298.15K	-156.151340
HF Energy	-155.524179
Nuclear repulsion energy	108.369824

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3269	3188
2	A'	3167	3088
3	A'	3161	3083
4	A'	3152	3074
5	A'	3114	3037
6	A'	3009	2934
7	A'	1515	1477
8	A'	1503	1466
9	A'	1464	1427
10	A'	1394	1359
11	A'	1337	1304
12	A'	1293	1260
13	A'	1164	1135
14	A'	1134	1106
15	A'	979	955
16	A'	882	860
17	A'	502	490
18	A'	284	277
19	A"	3069	2993
20	A"	1458	1422
21	A"	1032	1006
22	A"	1009	984
23	A"	808	788
24	A"	751	732
25	A"	556	542
26	A"	230	225
27	A"	152	148

Atom	x (Å)	y (Å)	z (Å)
C1	1.374	-1.416	0.000
C2	0.149	-0.749	0.000
C3	0.000	0.635	0.000
C4	-1.330	1.342	0.000
H5	2.318	-0.860	0.000
H6	1.427	-2.508	0.000
H7	-0.767	-1.358	0.000
H8	0.906	1.257	0.000
H9	-2.164	0.619	0.000
H10	-1.438	1.993	0.888
H11	-1.438	1.993	-0.888

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
C1		1.3948	2.4690	3.8627	1.0952	1.0930	2.1416	2.7137	4.0822	4.5077	4.5077
C2	1.3948		1.3921	2.5614	2.1712	2.1738	1.0996	2.1437	2.6879	3.2904	3.2904
C3	2.4690	1.3921		1.5064	2.7580	3.4516	2.1350	1.0985	2.1644	2.1682	2.1682
C4	3.8627	2.5614	1.5064		4.2610	4.7350	2.7574	2.2377	1.1032	1.1068	1.1068
H5	1.0952	2.1712	2.7580	4.2610		1.8733	3.1241	2.5445	4.7198	4.7994	4.7994
H6	1.0930	2.1738	3.4516	4.7350	1.8733		2.4766	3.8005	4.7618	5.4086	5.4086
H7	2.1416	1.0996	2.1350	2.7574	3.1241	2.4766		3.1033	2.4210	3.5305	3.5305
H8	2.7137	2.1437	1.0985	2.2377	2.5445	3.8005	3.1033		3.1354	2.6124	2.6124
H9	4.0822	2.6879	2.1644	1.1032	4.7198	4.7618	2.4210	3.1354		1.7897	1.7897
H10	4.5077	3.2904	2.1682	1.1068	4.7994	5.4086	3.5305	2.6124	1.7897		1.7770
H11	4.5077	3.2904	2.1682	1.1068	4.7994	5.4086	3.5305	2.6124	1.7897	1.7770

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.729	C1	C2	H7	117.827
C2	C1	H5	120.908	C2	C1	H6	121.326
C2	C3	C4	124.127	C2	C3	H8	118.313
C3	C2	H7	117.444	C3	C4	H9	111.127
C3	C4	H10	111.218	C3	C4	H11	111.218
C4	C3	H8	117.560	H5	C1	H6	117.766
H9	C4	H10	108.155	H9	C4	H11	108.155
H10	C4	H11	106.791

All results from a given calculation for CH₃CHCHCH₂ (methylallyl radical)

using model chemistry: MP4=FULL/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 CH3CHCHCH2 (methylallyl radical)

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

States and conformations

All results from a given calculation for CH₃CHCHCH₂ (methylallyl radical)