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	hartrees
Energy at 0K	-154.967538
Energy at 298.15K	-154.973956
HF Energy	-154.644382
Nuclear repulsion energy	108.769394

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3290	3130	11.49
2	A'	3192	3036	12.34
3	A'	3186	3031	20.70
4	A'	3164	3010	6.33
5	A'	3145	2991	11.34
6	A'	3063	2914	20.72
7	A'	1605	1527	7.08
8	A'	1582	1505	2.46
9	A'	1525	1451	6.94
10	A'	1493	1420	4.14
11	A'	1420	1351	0.35
12	A'	1343	1278	1.28
13	A'	1171	1114	0.38
14	A'	1146	1090	0.30
15	A'	1063	1011	5.79
16	A'	896	853	3.03
17	A'	530	504	0.47
18	A'	302	288	0.14
19	A"	3114	2963	19.81
20	A"	1583	1506	6.54
21	A"	1104	1050	2.55
22	A"	1038	987	29.85
23	A"	803	763	62.15
24	A"	765	728	0.00
25	A"	565	538	5.16
26	A"	228	217	2.13
27	A"	144	137	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	1.379	-1.404	0.000
C2	0.158	-0.744	0.000
C3	0.000	0.631	0.000
C4	-1.342	1.331	0.000
H5	2.315	-0.855	0.000
H6	1.441	-2.486	0.000
H7	-0.747	-1.352	0.000
H8	0.887	1.263	0.000
H9	-2.157	0.600	0.000
H10	-1.454	1.972	0.885
H11	-1.454	1.972	-0.885

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
C1		1.3875	2.4585	3.8580	1.0857	1.0834	2.1265	2.7123	4.0643	4.4952	4.4952
C2	1.3875		1.3845	2.5608	2.1595	2.1633	1.0906	2.1355	2.6772	3.2802	3.2802
C3	2.4585	1.3845		1.5134	2.7507	3.4342	2.1194	1.0891	2.1576	2.1669	2.1669
C4	3.8580	2.5608	1.5134		4.2602	4.7241	2.7485	2.2299	1.0958	1.0980	1.0980
H5	1.0857	2.1595	2.7507	4.2602		1.8504	3.1023	2.5540	4.7027	4.7937	4.7937
H6	1.0834	2.1633	3.4342	4.7241	1.8504		2.4649	3.7896	4.7404	5.3887	5.3887
H7	2.1265	1.0906	2.1194	2.7485	3.1023	2.4649		3.0838	2.4078	3.5114	3.5114
H8	2.7123	2.1355	1.0891	2.2299	2.5540	3.7896	3.0838		3.1159	2.6016	2.6016
H9	4.0643	2.6772	2.1576	1.0958	4.7027	4.7404	2.4078	3.1159		1.7775	1.7775
H10	4.4952	3.2802	2.1669	1.0980	4.7937	5.3887	3.5114	2.6016	1.7775		1.7698
H11	4.4952	3.2802	2.1669	1.0980	4.7937	5.3887	3.5114	2.6016	1.7775	1.7698

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.973	C1	C2	H7	117.713
C2	C1	H5	121.173	C2	C1	H6	121.734
C2	C3	C4	124.119	C2	C3	H8	118.896
C3	C2	H7	117.314	C3	C4	H9	110.546
C3	C4	H10	111.151	C3	C4	H11	111.151
C4	C3	H8	116.985	H5	C1	H6	117.092
H9	C4	H10	108.234	H9	C4	H11	108.234
H10	C4	H11	107.394

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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