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	hartrees
Energy at 0K	-156.099355
Energy at 298.15K	-156.105617
HF Energy	-155.558221
Nuclear repulsion energy	109.743640

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3325	3152	7.78
2	A'	3217	3050	20.32
3	A'	3213	3046	12.52
4	A'	3197	3030	5.72
5	A'	3173	3008	12.61
6	A'	3067	2907	29.86
7	A'	1552	1472	8.43
8	A'	1531	1451	1.40
9	A'	1498	1420	16.00
10	A'	1439	1364	1.66
11	A'	1371	1300	0.11
12	A'	1328	1259	2.29
13	A'	1177	1116	0.33
14	A'	1141	1082	0.42
15	A'	1014	961	3.53
16	A'	900	853	5.14
17	A'	520	493	0.62
18	A'	294	279	0.24
19	A"	3132	2969	16.35
20	A"	1484	1406	6.99
21	A"	1042	988	0.20
22	A"	998	946	43.72
23	A"	725	687	7.64
24	A"	646	613	45.00
25	A"	529	502	6.09
26	A"	213	202	1.60
27	A"	143	136	0.93

Atom	x (Å)	y (Å)	z (Å)
C1	1.359	-1.395	0.000
C2	0.150	-0.740	0.000
C3	0.000	0.625	0.000
C4	-1.318	1.323	0.000
H5	2.289	-0.844	0.000
H6	1.414	-2.473	0.000
H7	-0.754	-1.343	0.000
H8	0.893	1.241	0.000
H9	-2.141	0.609	0.000
H10	-1.426	1.965	0.878
H11	-1.426	1.965	-0.878

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
C1		1.3756	2.4349	3.8154	1.0810	1.0789	2.1134	2.6777	4.0330	4.4520	4.4520
C2	1.3756		1.3727	2.5317	2.1417	2.1454	1.0864	2.1157	2.6580	3.2512	3.2512
C3	2.4349	1.3727		1.4914	2.7199	3.4053	2.1070	1.0850	2.1406	2.1448	2.1448
C4	3.8154	2.5317	1.4914		4.2079	4.6770	2.7251	2.2120	1.0898	1.0930	1.0930
H5	1.0810	2.1417	2.7199	4.2079		1.8488	3.0833	2.5097	4.6619	4.7395	4.7395
H6	1.0789	2.1454	3.4053	4.6770	1.8488		2.4448	3.7507	4.7047	5.3417	5.3417
H7	2.1134	1.0864	2.1070	2.7251	3.0833	2.4448		3.0641	2.3943	3.4881	3.4881
H8	2.6777	2.1157	1.0850	2.2120	2.5097	3.7507	3.0641		3.0986	2.5826	2.5826
H9	4.0330	2.6580	2.1406	1.0898	4.6619	4.7047	2.3943	3.0986		1.7670	1.7670
H10	4.4520	3.2512	2.1448	1.0930	4.7395	5.3417	3.4881	2.5826	1.7670		1.7557
H11	4.4520	3.2512	2.1448	1.0930	4.7395	5.3417	3.4881	2.5826	1.7670	1.7557

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.744	C1	C2	H7	117.803
C2	C1	H5	120.868	C2	C1	H6	121.399
C2	C3	C4	124.198	C2	C3	H8	118.354
C3	C2	H7	117.453	C3	C4	H9	111.108
C3	C4	H10	111.246	C3	C4	H11	111.246
C4	C3	H8	117.448	H5	C1	H6	117.733
H9	C4	H10	108.097	H9	C4	H11	108.097
H10	C4	H11	106.869

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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