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	hartrees
Energy at 0K	-156.334436
Energy at 298.15K	-156.340894
HF Energy	-155.562650
Nuclear repulsion energy	109.846393

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3266	3145
2	A'	3184	3066
3	A'	3177	3059
4	A'	3164	3047
5	A'	3117	3001
6	A'	3035	2922
7	A'	1540	1483
8	A'	1527	1470
9	A'	1492	1437
10	A'	1419	1367
11	A'	1356	1306
12	A'	1309	1261
13	A'	1172	1129
14	A'	1146	1103
15	A'	997	960
16	A'	893	860
17	A'	507	488
18	A'	281	271
19	A"	3077	2963
20	A"	1497	1441
21	A"	1073	1033
22	A"	1044	1005
23	A"	845	814
24	A"	787	757
25	A"	575	554
26	A"	241	233
27	A"	166	160

Atom	x (Å)	y (Å)	z (Å)
C1	1.356	-1.400	0.000
C2	0.150	-0.738	0.000
C3	0.000	0.625	0.000
C4	-1.314	1.326	0.000
H5	2.286	-0.854	0.000
H6	1.405	-2.476	0.000
H7	-0.752	-1.334	0.000
H8	0.890	1.238	0.000
H9	-2.137	0.614	0.000
H10	-1.421	1.969	0.875
H11	-1.421	1.969	-0.875

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
C1		1.3755	2.4376	3.8159	1.0789	1.0765	2.1093	2.6794	4.0325	4.4530	4.4530
C2	1.3755		1.3718	2.5307	2.1391	2.1435	1.0817	2.1106	2.6574	3.2500	3.2500
C3	2.4376	1.3718		1.4892	2.7230	3.4047	2.0991	1.0809	2.1374	2.1426	2.1426
C4	3.8159	2.5307	1.4892		4.2088	4.6741	2.7186	2.2064	1.0880	1.0914	1.0914
H5	1.0789	2.1391	2.7230	4.2088		1.8455	3.0763	2.5151	4.6608	4.7411	4.7411
H6	1.0765	2.1435	3.4047	4.6741	1.8455		2.4412	3.7496	4.7010	5.3394	5.3394
H7	2.1093	1.0817	2.0991	2.7186	3.0763	2.4412		3.0523	2.3905	3.4817	3.4817
H8	2.6794	2.1106	1.0809	2.2064	2.5151	3.7496	3.0523		3.0914	2.5775	2.5775
H9	4.0325	2.6574	2.1374	1.0880	4.6608	4.7010	2.3905	3.0914		1.7645	1.7645
H10	4.4530	3.2500	2.1426	1.0914	4.7411	5.3394	3.4817	2.5775	1.7645		1.7510
H11	4.4530	3.2500	2.1426	1.0914	4.7411	5.3394	3.4817	2.5775	1.7645	1.7510

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.064	C1	C2	H7	117.784
C2	C1	H5	120.793	C2	C1	H6	121.421
C2	C3	C4	124.337	C2	C3	H8	118.260
C3	C2	H7	117.151	C3	C4	H9	111.107
C3	C4	H10	111.318	C3	C4	H11	111.318
C4	C3	H8	117.403	H5	C1	H6	117.787
H9	C4	H10	108.119	H9	C4	H11	108.119
H10	C4	H11	106.672

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

using model chemistry: MP4=FULL/cc-pVTZ

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-pVTZ

States and conformations

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