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	hartrees
Energy at 0K	-156.239752
Energy at 298.15K	-156.246056
HF Energy	-155.545490
Nuclear repulsion energy	108.992216

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3270	3144
2	A'	3168	3046
3	A'	3164	3042
4	A'	3150	3028
5	A'	3129	3008
6	A'	3028	2912
7	A'	1530	1471
8	A'	1511	1453
9	A'	1482	1425
10	A'	1424	1369
11	A'	1348	1296
12	A'	1303	1253
13	A'	1166	1121
14	A'	1137	1093
15	A'	994	956
16	A'	889	855
17	A'	508	488
18	A'	285	274
19	A"	3085	2966
20	A"	1485	1428
21	A"	1039	999
22	A"	1016	977
23	A"	764	735
24	A"	735	706
25	A"	552	530
26	A"	222	213
27	A"	137	131

Atom	x (Å)	y (Å)	z (Å)
C1	1.368	-1.407	0.000
C2	0.150	-0.745	0.000
C3	0.000	0.631	0.000
C4	-1.326	1.334	0.000
H5	2.304	-0.853	0.000
H6	1.422	-2.491	0.000
H7	-0.759	-1.351	0.000
H8	0.899	1.250	0.000
H9	-2.153	0.615	0.000
H10	-1.433	1.979	0.883
H11	-1.433	1.979	-0.883

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
C1		1.3857	2.4541	3.8428	1.0879	1.0856	2.1273	2.6981	4.0600	4.4827	4.4827
C2	1.3857		1.3839	2.5497	2.1564	2.1600	1.0924	2.1307	2.6749	3.2728	3.2728
C3	2.4541	1.3839		1.5008	2.7405	3.4304	2.1217	1.0913	2.1530	2.1574	2.1574
C4	3.8428	2.5497	1.5008		4.2379	4.7096	2.7436	2.2260	1.0957	1.0995	1.0995
H5	1.0879	2.1564	2.7405	4.2379		1.8605	3.1030	2.5296	4.6926	4.7721	4.7721
H6	1.0856	2.1600	3.4304	4.7096	1.8605		2.4609	3.7776	4.7358	5.3777	5.3777
H7	2.1273	1.0924	2.1217	2.7436	3.1030	2.4609		3.0839	2.4099	3.5107	3.5107
H8	2.6981	2.1307	1.0913	2.2260	2.5296	3.7776	3.0839		3.1168	2.5982	2.5982
H9	4.0600	2.6749	2.1530	1.0957	4.6926	4.7358	2.4099	3.1168		1.7775	1.7775
H10	4.4827	3.2728	2.1574	1.0995	4.7721	5.3777	3.5107	2.5982	1.7775		1.7668
H11	4.4827	3.2728	2.1574	1.0995	4.7721	5.3777	3.5107	2.5982	1.7775	1.7668

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.776	C1	C2	H7	117.796
C2	C1	H5	120.860	C2	C1	H6	121.395
C2	C3	C4	124.174	C2	C3	H8	118.337
C3	C2	H7	117.428	C3	C4	H9	111.073
C3	C4	H10	111.192	C3	C4	H11	111.192
C4	C3	H8	117.489	H5	C1	H6	117.745
H9	C4	H10	108.143	H9	C4	H11	108.143
H10	C4	H11	106.928

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

using model chemistry: MP4=FULL/6-311G**

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/6-311G**

States and conformations

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