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	hartrees
Energy at 0K	-156.116147
Energy at 298.15K	-156.122491
HF Energy	-155.519362
Nuclear repulsion energy	108.433937

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3287	3172
2	A'	3179	3068
3	A'	3175	3064
4	A'	3162	3052
5	A'	3142	3032
6	A'	3036	2930
7	A'	1526	1472
8	A'	1510	1457
9	A'	1471	1420
10	A'	1409	1360
11	A'	1340	1293
12	A'	1296	1251
13	A'	1170	1129
14	A'	1141	1101
15	A'	986	951
16	A'	890	859
17	A'	505	487
18	A'	284	274
19	A"	3103	2995
20	A"	1470	1419
21	A"	1037	1001
22	A"	1020	985
23	A"	786	759
24	A"	752	726
25	A"	560	540
26	A"	226	218
27	A"	149	144

Atom	x (Å)	y (Å)	z (Å)
C1	1.370	-1.417	0.000
C2	0.148	-0.749	0.000
C3	0.000	0.634	0.000
C4	-1.326	1.343	0.000
H5	2.315	-0.861	0.000
H6	1.421	-2.510	0.000
H7	-0.769	-1.357	0.000
H8	0.908	1.254	0.000
H9	-2.165	0.624	0.000
H10	-1.433	1.995	0.888
H11	-1.433	1.995	-0.888

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
C1		1.3926	2.4664	3.8586	1.0965	1.0941	2.1403	2.7108	4.0821	4.5049	4.5049
C2	1.3926		1.3906	2.5594	2.1699	2.1728	1.1009	2.1424	2.6900	3.2898	3.2898
C3	2.4664	1.3906		1.5040	2.7561	3.4500	2.1343	1.1000	2.1649	2.1674	2.1674
C4	3.8586	2.5594	1.5040		4.2568	4.7321	2.7569	2.2364	1.1044	1.1077	1.1077
H5	1.0965	2.1699	2.7561	4.2568		1.8756	3.1242	2.5406	4.7200	4.7960	4.7960
H6	1.0941	2.1728	3.4500	4.7321	1.8756		2.4753	3.7989	4.7626	5.4071	5.4071
H7	2.1403	1.1009	2.1343	2.7569	3.1242	2.4753		3.1037	2.4234	3.5314	3.5314
H8	2.7108	2.1424	1.1000	2.2364	2.5406	3.7989	3.1037		3.1371	2.6117	2.6117
H9	4.0821	2.6900	2.1649	1.1044	4.7200	4.7626	2.4234	3.1371		1.7906	1.7906
H10	4.5049	3.2898	2.1674	1.1077	4.7960	5.4071	3.5314	2.6117	1.7906		1.7769
H11	4.5049	3.2898	2.1674	1.1077	4.7960	5.4071	3.5314	2.6117	1.7906	1.7769

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.795	C1	C2	H7	117.795
C2	C1	H5	120.870	C2	C1	H6	121.342
C2	C3	C4	124.256	C2	C3	H8	118.209
C3	C2	H7	117.410	C3	C4	H9	111.268
C3	C4	H10	111.271	C3	C4	H11	111.271
C4	C3	H8	117.535	H5	C1	H6	117.787
H9	C4	H10	108.087	H9	C4	H11	108.087
H10	C4	H11	106.663

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

using model chemistry: MP4=FULL/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=FULL/cc-pVDZ

States and conformations

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