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	hartrees
Energy at 0K	-156.106549
Energy at 298.15K	-156.112884
HF Energy	-155.519228
Nuclear repulsion energy	108.347243

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3281	3173
2	A'	3174	3068
3	A'	3169	3065
4	A'	3157	3052
5	A'	3136	3032
6	A'	3030	2930
7	A'	1523	1473
8	A'	1507	1457
9	A'	1469	1420
10	A'	1407	1360
11	A'	1338	1294
12	A'	1294	1252
13	A'	1167	1129
14	A'	1139	1101
15	A'	985	952
16	A'	889	860
17	A'	504	487
18	A'	284	274
19	A"	3097	2994
20	A"	1468	1419
21	A"	1034	1000
22	A"	1019	985
23	A"	783	757
24	A"	749	724
25	A"	559	540
26	A"	226	218
27	A"	149	144

Atom	x (Å)	y (Å)	z (Å)
C1	1.372	-1.418	0.000
C2	0.149	-0.750	0.000
C3	0.000	0.634	0.000
C4	-1.328	1.343	0.000
H5	2.317	-0.861	0.000
H6	1.423	-2.511	0.000
H7	-0.769	-1.359	0.000
H8	0.909	1.255	0.000
H9	-2.166	0.623	0.000
H10	-1.435	1.996	0.889
H11	-1.435	1.996	-0.889

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
C1		1.3936	2.4681	3.8614	1.0974	1.0950	2.1421	2.7129	4.0845	4.5083	4.5083
C2	1.3936		1.3917	2.5613	2.1715	2.1744	1.1018	2.1443	2.6915	3.2924	3.2924
C3	2.4681	1.3917		1.5054	2.7577	3.4526	2.1360	1.1009	2.1665	2.1694	2.1694
C4	3.8614	2.5613	1.5054		4.2598	4.7357	2.7587	2.2386	1.1054	1.1087	1.1087
H5	1.0974	2.1715	2.7577	4.2598		1.8774	3.1268	2.5421	4.7230	4.7995	4.7995
H6	1.0950	2.1744	3.4526	4.7357	1.8774		2.4773	3.8018	4.7654	5.4112	5.4112
H7	2.1421	1.1018	2.1360	2.7587	3.1268	2.4773		3.1064	2.4243	3.5340	3.5340
H8	2.7129	2.1443	1.1009	2.2386	2.5421	3.8018	3.1064		3.1398	2.6142	2.6142
H9	4.0845	2.6915	2.1665	1.1054	4.7230	4.7654	2.4243	3.1398		1.7924	1.7924
H10	4.5083	3.2924	2.1694	1.1087	4.7995	5.4112	3.5340	2.6142	1.7924		1.7787
H11	4.5083	3.2924	2.1694	1.1087	4.7995	5.4112	3.5340	2.6142	1.7924	1.7787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.781	C1	C2	H7	117.808
C2	C1	H5	120.861	C2	C1	H6	121.332
C2	C3	C4	124.234	C2	C3	H8	118.219
C3	C2	H7	117.411	C3	C4	H9	111.239
C3	C4	H10	111.267	C3	C4	H11	111.267
C4	C3	H8	117.547	H5	C1	H6	117.807
H9	C4	H10	108.100	H9	C4	H11	108.100
H10	C4	H11	106.676

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

using model chemistry: MP4/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/cc-pVDZ

States and conformations

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