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	hartrees
Energy at 0K	-156.257202
Energy at 298.15K	-156.263703
HF Energy	-155.562300
Nuclear repulsion energy	110.277211

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3317	3149	5.78
2	A'	3227	3064	14.18
3	A'	3222	3059	7.85
4	A'	3210	3047	7.46
5	A'	3168	3008	10.44
6	A'	3074	2918	25.97
7	A'	1555	1477	10.07
8	A'	1534	1457	0.67
9	A'	1500	1424	18.29
10	A'	1424	1352	1.71
11	A'	1368	1299	0.18
12	A'	1324	1257	2.65
13	A'	1181	1121	0.42
14	A'	1143	1085	0.41
15	A'	1008	957	4.03
16	A'	904	858	6.20
17	A'	517	491	0.74
18	A'	291	276	0.27
19	A"	3127	2969	12.50
20	A"	1502	1426	6.55
21	A"	1084	1030	20.68
22	A"	1050	997	9.18
23	A"	860	816	52.41
24	A"	807	766	0.75
25	A"	582	553	5.71
26	A"	238	226	1.78
27	A"	168	160	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	1.350	-1.394	0.000
C2	0.148	-0.736	0.000
C3	0.000	0.622	0.000
C4	-1.308	1.321	0.000
H5	2.275	-0.845	0.000
H6	1.401	-2.466	0.000
H7	-0.752	-1.331	0.000
H8	0.890	1.229	0.000
H9	-2.129	0.612	0.000
H10	-1.413	1.962	0.873
H11	-1.413	1.962	-0.873

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
C1		1.3702	2.4256	3.7994	1.0757	1.0734	2.1027	2.6625	4.0161	4.4339	4.4339
C2	1.3702		1.3656	2.5203	2.1300	2.1361	1.0787	2.1005	2.6464	3.2372	3.2372
C3	2.4256	1.3656		1.4835	2.7069	3.3905	2.0922	1.0779	2.1293	2.1346	2.1346
C4	3.7994	2.5203	1.4835		4.1872	4.6563	2.7097	2.2006	1.0847	1.0882	1.0882
H5	1.0757	2.1300	2.7069	4.1872		1.8416	3.0658	2.4937	4.6393	4.7166	4.7166
H6	1.0734	2.1361	3.3905	4.6563	1.8416		2.4337	3.7299	4.6838	5.3189	5.3189
H7	2.1027	1.0787	2.0922	2.7097	3.0658	2.4337		3.0413	2.3818	3.4705	3.4705
H8	2.6625	2.1005	1.0779	2.2006	2.4937	3.7299	3.0413		3.0821	2.5703	2.5703
H9	4.0161	2.6464	2.1293	1.0847	4.6393	4.6838	2.3818	3.0821		1.7600	1.7600
H10	4.4339	3.2372	2.1346	1.0882	4.7166	5.3189	3.4705	2.5703	1.7600		1.7459
H11	4.4339	3.2372	2.1346	1.0882	4.7166	5.3189	3.4705	2.5703	1.7600	1.7459

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.908	C1	C2	H7	117.841
C2	C1	H5	120.644	C2	C1	H6	121.413
C2	C3	C4	124.354	C2	C3	H8	118.072
C3	C2	H7	117.251	C3	C4	H9	111.064
C3	C4	H10	111.277	C3	C4	H11	111.277
C4	C3	H8	117.574	H5	C1	H6	117.944
H9	C4	H10	108.184	H9	C4	H11	108.184
H10	C4	H11	106.675

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

using model chemistry: MP2=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

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