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	hartrees
Energy at 0K	-26.243709
Energy at 298.15K	-26.249918
HF Energy	-25.929444
Nuclear repulsion energy	59.684814

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3228	3151	24.55
2	A'	3116	3041	52.55
3	A'	3112	3038	6.80
4	A'	3102	3027	14.23
5	A'	3066	2992	24.62
6	A'	2952	2881	47.93
7	A'	1539	1502	8.88
8	A'	1529	1493	2.58
9	A'	1486	1451	10.49
10	A'	1462	1427	3.09
11	A'	1367	1334	0.16
12	A'	1302	1271	1.34
13	A'	1173	1144	0.15
14	A'	1128	1101	0.36
15	A'	1014	989	4.74
16	A'	881	860	3.23
17	A'	505	493	0.43
18	A'	286	279	0.11
19	A"	3034	2961	36.56
20	A"	1493	1457	7.96
21	A"	1053	1027	0.00
22	A"	969	945	49.42
23	A"	707	690	11.51
24	A"	658	643	55.47
25	A"	524	511	5.69
26	A"	214	209	2.37
27	A"	124	121	0.73

Atom	x (Å)	y (Å)	z (Å)
C1	1.397	-1.429	0.000
C2	0.155	-0.756	0.000
C3	0.000	0.645	0.000
C4	-1.354	1.352	0.000
H5	2.339	-0.876	0.000
H6	1.454	-2.519	0.000
H7	-0.757	-1.366	0.000
H8	0.898	1.275	0.000
H9	-2.177	0.618	0.000
H10	-1.471	1.999	0.890
H11	-1.471	1.999	-0.890

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
C1		1.4122	2.5005	3.9122	1.0934	1.0906	2.1544	2.7502	4.1189	4.5566	4.5566
C2	1.4122		1.4094	2.5930	2.1876	2.1891	1.0973	2.1628	2.7072	3.3199	3.3199
C3	2.5005	1.4094		1.5280	2.7903	3.4813	2.1487	1.0972	2.1775	2.1878	2.1878
C4	3.9122	2.5930	1.5280		4.3139	4.7820	2.7834	2.2536	1.1030	1.1056	1.1056
H5	1.0934	2.1876	2.7903	4.3139		1.8663	3.1349	2.5895	4.7575	4.8550	4.8550
H6	1.0906	2.1891	3.4813	4.7820	1.8663		2.4928	3.8342	4.7981	5.4540	5.4540
H7	2.1544	1.0973	2.1487	2.7834	3.1349	2.4928		3.1170	2.4403	3.5527	3.5527
H8	2.7502	2.1628	1.0972	2.2536	2.5895	3.8342	3.1170		3.1448	2.6315	2.6315
H9	4.1189	2.7072	2.1775	1.1030	4.7575	4.7981	2.4403	3.1448		1.7878	1.7878
H10	4.5566	3.3199	2.1878	1.1056	4.8550	5.4540	3.5527	2.6315	1.7878		1.7790
H11	4.5566	3.3199	2.1878	1.1056	4.8550	5.4540	3.5527	2.6315	1.7878	1.7790

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.799	C1	C2	H7	117.741
C2	C1	H5	121.112	C2	C1	H6	121.472
C2	C3	C4	123.907	C2	C3	H8	118.749
C3	C2	H7	117.460	C3	C4	H9	110.677
C3	C4	H10	111.341	C3	C4	H11	111.341
C4	C3	H8	117.343	H5	C1	H6	117.416
H9	C4	H10	108.093	H9	C4	H11	108.093
H10	C4	H11	107.137

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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