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	hartrees
Energy at 0K	-155.777530
Energy at 298.15K	-155.783921
HF Energy	-155.451029
Nuclear repulsion energy	108.425974

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3293	3128	17.71
2	A'	3188	3029	13.07
3	A'	3179	3020	33.00
4	A'	3158	3001	12.02
5	A'	3133	2977	17.20
6	A'	3039	2888	32.66
7	A'	1580	1501	6.69
8	A'	1567	1488	1.97
9	A'	1529	1452	9.31
10	A'	1491	1417	2.77
11	A'	1410	1339	0.16
12	A'	1344	1276	1.35
13	A'	1205	1145	0.45
14	A'	1167	1109	0.12
15	A'	1046	994	4.60
16	A'	910	865	3.18
17	A'	523	497	0.50
18	A'	297	282	0.13
19	A"	3102	2947	27.94
20	A"	1550	1473	6.70
21	A"	1093	1038	0.76
22	A"	1025	974	31.84
23	A"	789	750	62.02
24	A"	760	722	0.17
25	A"	558	530	4.55
26	A"	226	215	1.77
27	A"	141	134	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	1.374	-1.420	0.000
C2	0.153	-0.749	0.000
C3	0.000	0.635	0.000
C4	-1.332	1.346	0.000
H5	2.318	-0.877	0.000
H6	1.431	-2.505	0.000
H7	-0.759	-1.354	0.000
H8	0.896	1.261	0.000
H9	-2.160	0.622	0.000
H10	-1.446	1.991	0.885
H11	-1.446	1.991	-0.885

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
C1		1.3939	2.4719	3.8698	1.0891	1.0864	2.1338	2.7238	4.0819	4.5136	4.5136
C2	1.3939		1.3916	2.5674	2.1690	2.1723	1.0942	2.1427	2.6885	3.2931	3.2931
C3	2.4719	1.3916		1.5103	2.7671	3.4504	2.1286	1.0930	2.1601	2.1713	2.1713
C4	3.8698	2.5674	1.5103		4.2736	4.7396	2.7601	2.2295	1.0992	1.1015	1.1015
H5	1.0891	2.1690	2.7671	4.2736		1.8544	3.1134	2.5678	4.7222	4.8139	4.8139
H6	1.0864	2.1723	3.4504	4.7396	1.8544		2.4736	3.8042	4.7618	5.4105	5.4105
H7	2.1338	1.0942	2.1286	2.7601	3.1134	2.4736		3.0946	2.4229	3.5279	3.5279
H8	2.7238	2.1427	1.0930	2.2295	2.5678	3.8042	3.0946		3.1217	2.6075	2.6075
H9	4.0819	2.6885	2.1601	1.0992	4.7222	4.7618	2.4229	3.1217		1.7796	1.7796
H10	4.5136	3.2931	2.1713	1.1015	4.8139	5.4105	3.5279	2.6075	1.7796		1.7708
H11	4.5136	3.2931	2.1713	1.1015	4.8139	5.4105	3.5279	2.6075	1.7796	1.7708

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.103	C1	C2	H7	117.594
C2	C1	H5	121.259	C2	C1	H6	121.793
C2	C3	C4	124.385	C2	C3	H8	118.682
C3	C2	H7	117.303	C3	C4	H9	110.762
C3	C4	H10	111.518	C3	C4	H11	111.518
C4	C3	H8	116.932	H5	C1	H6	116.948
H9	C4	H10	107.930	H9	C4	H11	107.930
H10	C4	H11	106.999

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

using model chemistry: MP2=FULL/6-31G

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: MP2=FULL/6-31G

States and conformations

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