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	hartrees
Energy at 0K	-156.419919
Energy at 298.15K	-156.413406
HF Energy	-155.506744
Nuclear repulsion energy	109.057460

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3420	3222	22.24
2	A'	3330	3138	22.24
3	A'	3328	3136	38.04
4	A'	3317	3126	6.86
5	A'	3265	3077	27.00
6	A'	3184	3000	43.04
7	A'	1649	1554	2.94
8	A'	1643	1548	3.08
9	A'	1611	1517	5.07
10	A'	1566	1476	1.57
11	A'	1455	1371	1.01
12	A'	1352	1274	1.20
13	A'	1256	1184	0.21
14	A'	1204	1135	0.19
15	A'	1072	1010	1.52
16	A'	931	877	1.93
17	A'	530	499	0.44
18	A'	305	288	0.11
19	A"	3227	3041	42.26
20	A"	1624	1530	4.15
21	A"	1120	1055	0.09
22	A"	1023	964	25.61
23	A"	781	736	50.73
24	A"	747	703	0.04
25	A"	557	525	4.42
26	A"	220	207	1.50
27	A"	137	129	0.38

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	124.722	C1	C2	H7	117.628
C2	C1	H5	121.274	C2	C1	H6	121.356
C2	C3	C4	124.329	C2	C3	H8	118.480
C3	C2	H7	117.650	C3	C4	H9	111.472
C3	C4	H10	111.289	C3	C4	H11	111.289
C4	C3	H8	117.191	H5	C1	H6	117.370
H9	C4	H10	107.846	H9	C4	H11	107.846
H10	C4	H11	106.890

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

using model chemistry: G3

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: G3

States and conformations

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