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	hartrees
Energy at 0K	-194.755922
Energy at 298.15K	-194.763524
HF Energy	-193.991445
Nuclear repulsion energy	160.263614

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3287	3113	12.26
2	A'	3275	3102	12.13
3	A'	3195	3026	4.18
4	A'	3182	3014	14.96
5	A'	3180	3012	17.44
6	A'	3178	3010	0.31
7	A'	3076	2914	16.49
8	A'	1711	1620	1.71
9	A'	1659	1572	13.79
10	A'	1537	1456	9.37
11	A'	1482	1403	1.23
12	A'	1456	1379	5.55
13	A'	1437	1361	9.88
14	A'	1356	1284	0.49
15	A'	1335	1265	0.24
16	A'	1101	1043	4.52
17	A'	1024	970	0.48
18	A'	984	932	0.37
19	A'	808	765	0.20
20	A'	536	508	0.20
21	A'	426	404	1.09
22	A'	286	271	0.67
23	A"	3152	2985	15.34
24	A"	1518	1438	10.80
25	A"	1074	1018	0.24
26	A"	1001	948	27.23
27	A"	884	837	47.63
28	A"	863	818	42.78
29	A"	770	729	0.93
30	A"	632	598	0.32
31	A"	383	363	10.21
32	A"	217	205	0.42
33	A"	144	137	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	-0.589	1.737	0.000
C2	0.000	0.525	0.000
C3	-0.830	-0.685	0.000
C4	-0.364	-1.947	0.000
C5	1.496	0.373	0.000
H6	-1.670	1.838	0.000
H7	-0.008	2.653	0.000
H8	-1.908	-0.526	0.000
H9	0.697	-2.173	0.000
H10	-1.044	-2.791	0.000
H11	1.988	1.347	0.000
H12	1.832	-0.182	0.881
H13	1.832	-0.182	-0.881

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.3476	2.4338	3.6902	2.4918	1.0857	1.0852	2.6188	4.1156	4.5505	2.6065	3.2124	3.2124
C2	1.3476		1.4670	2.4979	1.5038	2.1248	2.1286	2.1778	2.7860	3.4762	2.1512	2.1522	2.1522
C3	2.4338	1.4670		1.3447	2.5551	2.6596	3.4380	1.0896	2.1315	2.1168	3.4738	2.8485	2.8485
C4	3.6902	2.4979	1.3447		2.9729	4.0038	4.6136	2.0979	1.0845	1.0844	4.0467	2.9516	2.9516
C5	2.4918	1.5038	2.5551	2.9729		3.4890	2.7321	3.5204	2.6680	4.0573	1.0911	1.0939	1.0939
H6	1.0857	2.1248	2.6596	4.0038	3.4890		1.8511	2.3760	4.6573	4.6714	3.6911	4.1380	4.1380
H7	1.0852	2.1286	3.4380	4.6136	2.7321	1.8511		3.7034	4.8773	5.5420	2.3858	3.4930	3.4930
H8	2.6188	2.1778	1.0896	2.0979	3.5204	2.3760	3.7034		3.0814	2.4241	4.3223	3.8574	3.8574
H9	4.1156	2.7860	2.1315	1.0845	2.6680	4.6573	4.8773	3.0814		1.8473	3.7488	2.4553	2.4553
H10	4.5505	3.4762	2.1168	1.0844	4.0573	4.6714	5.5420	2.4241	1.8473		5.1296	3.9819	3.9819
H11	2.6065	2.1512	3.4738	4.0467	1.0911	3.6911	2.3858	4.3223	3.7488	5.1296		1.7711	1.7711
H12	3.2124	2.1522	2.8485	2.9516	1.0939	4.1380	3.4930	3.8574	2.4553	3.9819	1.7711		1.7619
H13	3.2124	2.1522	2.8485	2.9516	1.0939	4.1380	3.4930	3.8574	2.4553	3.9819	1.7711	1.7619

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	119.632	C1	C2	C5	121.728
C2	C1	H6	121.288	C2	C1	H7	121.704
C2	C3	C4	125.289	C2	C3	H8	116.042
C2	C5	H11	110.993	C2	C5	H12	110.902
C2	C5	H13	110.902	C3	C2	C5	118.640
C3	C4	H9	122.311	C3	C4	H10	120.879
C4	C3	H8	118.670	H6	C1	H7	117.008
H9	C4	H10	116.810	H11	C5	H12	108.309
H11	C5	H13	108.309	H12	C5	H13	107.292

All results from a given calculation for C₅H₈ (1,3-Butadiene, 2-methyl-)

using model chemistry: MP2=FULL/6-311G*

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 C5H8 (1,3-Butadiene, 2-methyl-)

using model chemistry: MP2=FULL/6-311G*

States and conformations

All results from a given calculation for C₅H₈ (1,3-Butadiene, 2-methyl-)