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	hartrees
Energy at 0K	-155.999336
Energy at 298.15K	-156.005743
HF Energy	-155.505947
Nuclear repulsion energy	109.512173

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3338	3145	9.33
2	A'	3235	3048	9.88
3	A'	3224	3038	22.96
4	A'	3207	3022	8.03
5	A'	3193	3008	10.34
6	A'	3086	2908	26.63
7	A'	1580	1488	7.61
8	A'	1559	1469	1.15
9	A'	1530	1441	13.85
10	A'	1475	1390	1.96
11	A'	1395	1314	0.04
12	A'	1348	1270	1.90
13	A'	1199	1130	0.22
14	A'	1167	1100	0.51
15	A'	1030	970	5.13
16	A'	917	864	4.26
17	A'	523	493	0.68
18	A'	296	279	0.17
19	A"	3153	2971	18.41
20	A"	1540	1451	6.52
21	A"	1076	1013	2.81
22	A"	1046	985	24.32
23	A"	799	753	53.17
24	A"	769	724	2.34
25	A"	570	537	4.94
26	A"	231	218	1.66
27	A"	150	141	0.69

Atom	x (Å)	y (Å)	z (Å)
C1	1.358	-1.402	0.000
C2	0.148	-0.742	0.000
C3	0.000	0.625	0.000
C4	-1.315	1.331	0.000
H5	2.294	-0.855	0.000
H6	1.416	-2.483	0.000
H7	-0.760	-1.345	0.000
H8	0.897	1.242	0.000
H9	-2.144	0.619	0.000
H10	-1.422	1.976	0.879
H11	-1.422	1.976	-0.879

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
C1		1.3783	2.4400	3.8224	1.0842	1.0821	2.1181	2.6840	4.0433	4.4626	4.4626
C2	1.3783		1.3751	2.5367	2.1489	2.1538	1.0897	2.1205	2.6656	3.2599	3.2599
C3	2.4400	1.3751		1.4922	2.7300	3.4154	2.1117	1.0883	2.1443	2.1497	2.1497
C4	3.8224	2.5367	1.4922		4.2191	4.6904	2.7327	2.2135	1.0929	1.0962	1.0962
H5	1.0842	2.1489	2.7300	4.2191		1.8491	3.0925	2.5198	4.6764	4.7538	4.7538
H6	1.0821	2.1538	3.4154	4.6904	1.8491		2.4552	3.7607	4.7218	5.3583	5.3583
H7	2.1181	1.0897	2.1117	2.7327	3.0925	2.4552		3.0719	2.4029	3.4991	3.4991
H8	2.6840	2.1205	1.0883	2.2135	2.5198	3.7607	3.0719		3.1042	2.5866	2.5866
H9	4.0433	2.6656	2.1443	1.0929	4.6764	4.7218	2.4029	3.1042		1.7712	1.7712
H10	4.4626	3.2599	2.1497	1.0962	4.7538	5.3583	3.4991	2.5866	1.7712		1.7586
H11	4.4626	3.2599	2.1497	1.0962	4.7538	5.3583	3.4991	2.5866	1.7712	1.7586

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.795	C1	C2	H7	117.766
C2	C1	H5	121.076	C2	C1	H6	121.719
C2	C3	C4	124.379	C2	C3	H8	118.344
C3	C2	H7	117.439	C3	C4	H9	111.153
C3	C4	H10	111.387	C3	C4	H11	111.387
C4	C3	H8	117.277	H5	C1	H6	117.206
H9	C4	H10	108.020	H9	C4	H11	108.020
H10	C4	H11	106.675

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)