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	hartrees
Energy at 0K	-156.134152
Energy at 298.15K	-156.140502
HF Energy	-155.524040
Nuclear repulsion energy	108.281931

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3279	3203
2	A'	3182	3108
3	A'	3169	3096
4	A'	3152	3079
5	A'	3133	3060
6	A'	3036	2966
7	A'	1558	1522
8	A'	1539	1504
9	A'	1513	1478
10	A'	1458	1425
11	A'	1377	1345
12	A'	1328	1297
13	A'	1186	1159
14	A'	1159	1132
15	A'	1015	991
16	A'	904	883
17	A'	513	502
18	A'	290	284
19	A"	3094	3023
20	A"	1522	1487
21	A"	1060	1036
22	A"	1026	1002
23	A"	780	762
24	A"	750	733
25	A"	563	550
26	A"	226	221
27	A"	140	137

Atom	x (Å)	y (Å)	z (Å)
C1	1.376	-1.417	0.000
C2	0.150	-0.750	0.000
C3	0.000	0.635	0.000
C4	-1.332	1.342	0.000
H5	2.319	-0.860	0.000
H6	1.428	-2.509	0.000
H7	-0.767	-1.359	0.000
H8	0.906	1.258	0.000
H9	-2.166	0.619	0.000
H10	-1.440	1.994	0.889
H11	-1.440	1.994	-0.889

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
C1		1.3958	2.4707	3.8657	1.0960	1.0939	2.1432	2.7154	4.0852	4.5112	4.5112
C2	1.3958		1.3933	2.5634	2.1727	2.1752	1.1005	2.1454	2.6899	3.2931	3.2931
C3	2.4707	1.3933		1.5079	2.7595	3.4540	2.1370	1.0994	2.1663	2.1701	2.1701
C4	3.8657	2.5634	1.5079		4.2639	4.7385	2.7598	2.2401	1.1041	1.1078	1.1078
H5	1.0960	2.1727	2.7595	4.2639		1.8752	3.1264	2.5455	4.7230	4.8027	4.8027
H6	1.0939	2.1752	3.4540	4.7385	1.8752		2.4781	3.8031	4.7651	5.4126	5.4126
H7	2.1432	1.1005	2.1370	2.7598	3.1264	2.4781		3.1061	2.4230	3.5336	3.5336
H8	2.7154	2.1454	1.0994	2.2401	2.5455	3.8031	3.1061		3.1384	2.6150	2.6150
H9	4.0852	2.6899	2.1663	1.1041	4.7230	4.7651	2.4230	3.1384		1.7913	1.7913
H10	4.5112	3.2931	2.1701	1.1078	4.8027	5.4126	3.5336	2.6150	1.7913		1.7786
H11	4.5112	3.2931	2.1701	1.1078	4.8027	5.4126	3.5336	2.6150	1.7913	1.7786

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.709	C1	C2	H7	117.821
C2	C1	H5	120.891	C2	C1	H6	121.305
C2	C3	C4	124.105	C2	C3	H8	118.309
C3	C2	H7	117.469	C3	C4	H9	111.127
C3	C4	H10	111.209	C3	C4	H11	111.209
C4	C3	H8	117.587	H5	C1	H6	117.804
H9	C4	H10	108.166	H9	C4	H11	108.166
H10	C4	H11	106.790

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

using model chemistry: MP4/aug-cc-pVDZ

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: MP4/aug-cc-pVDZ

States and conformations

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