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	hartrees
Energy at 0K	-194.737908
Energy at 298.15K	-194.744955
HF Energy	-193.972339
Nuclear repulsion energy	157.073320

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3186	3017	18.44
2	A₁	3164	2996	5.52
3	A₁	3067	2905	43.82
4	A₁	2055	1947	11.82
5	A₁	1546	1464	0.18
6	A₁	1496	1417	4.33
7	A₁	1448	1371	0.01
8	A₁	1331	1261	11.83
9	A₁	1042	987	7.04
10	A₁	747	707	0.03
11	A₁	342	324	0.11
12	A₂	3138	2972	0.00
13	A₂	1511	1431	0.00
14	A₂	1022	968	0.00
15	A₂	628	595	0.00
16	A₂	156	148	0.00
17	B₁	3250	3078	3.72
18	B₁	3138	2972	41.36
19	B₁	1529	1448	21.09
20	B₁	1116	1057	0.03
21	B₁	1038	983	0.07
22	B₁	429	406	0.67
23	B₁	259	245	6.01
24	B₁	166	157	1.52
25	B₂	3185	3016	12.78
26	B₂	3065	2903	18.44
27	B₂	1520	1440	9.29
28	B₂	1432	1356	9.29
29	B₂	1251	1185	3.82
30	B₂	992	939	0.31
31	B₂	863	818	56.48
32	B₂	598	566	10.35
33	B₂	181	171	0.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	2.246
C2	0.000	0.000	0.932
H3	-0.927	0.000	2.812
H4	0.927	0.000	2.812
C5	0.000	0.000	-0.383
C6	0.000	1.285	-1.173
C7	0.000	-1.285	-1.173
H8	0.000	2.157	-0.518
H9	0.000	-2.157	-0.518
H10	0.882	1.335	-1.821
H11	-0.882	1.335	-1.821
H12	-0.882	-1.335	-1.821
H13	0.882	-1.335	-1.821

	C1	C2	H3	H4	C5	C6	C7	H8	H9	H10	H11	H12	H13
C1		1.3139	1.0863	1.0863	2.6285	3.6525	3.6525	3.5066	3.5066	4.3699	4.3699	4.3699	4.3699
C2	1.3139		2.0961	2.0961	1.3146	2.4664	2.4664	2.5997	2.5997	3.1837	3.1837	3.1837	3.1837
H3	1.0863	2.0961		1.8545	3.3263	4.2885	4.2885	4.0749	4.0749	5.1492	4.8213	4.8213	5.1492
H4	1.0863	2.0961	1.8545		3.3263	4.2885	4.2885	4.0749	4.0749	4.8213	5.1492	5.1492	4.8213
C5	2.6285	1.3146	3.3263	3.3263		1.5089	1.5089	2.1617	2.1617	2.1509	2.1509	2.1509	2.1509
C6	3.6525	2.4664	4.2885	4.2885	1.5089		2.5705	1.0905	3.5044	1.0950	1.0950	2.8390	2.8390
C7	3.6525	2.4664	4.2885	4.2885	1.5089	2.5705		3.5044	1.0905	2.8390	2.8390	1.0950	1.0950
H8	3.5066	2.5997	4.0749	4.0749	2.1617	1.0905	3.5044		4.3149	1.7749	1.7749	3.8298	3.8298
H9	3.5066	2.5997	4.0749	4.0749	2.1617	3.5044	1.0905	4.3149		3.8298	3.8298	1.7749	1.7749
H10	4.3699	3.1837	5.1492	4.8213	2.1509	1.0950	2.8390	1.7749	3.8298		1.7631	3.1989	2.6691
H11	4.3699	3.1837	4.8213	5.1492	2.1509	1.0950	2.8390	1.7749	3.8298	1.7631		2.6691	3.1989
H12	4.3699	3.1837	4.8213	5.1492	2.1509	2.8390	1.0950	3.8298	1.7749	3.1989	2.6691		1.7631
H13	4.3699	3.1837	5.1492	4.8213	2.1509	2.8390	1.0950	3.8298	1.7749	2.6691	3.1989	1.7631

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	180.000	C2	C1	H3	121.399
C2	C1	H4	121.399	C2	C5	C6	121.593
C2	C5	C7	121.593	H3	C1	H4	117.201
C5	C6	H8	111.517	C5	C6	H10	110.379
C5	C6	H11	110.379	C5	C7	H9	111.517
C5	C7	H12	110.379	C5	C7	H13	110.379
C6	C5	C7	116.815	H8	C6	H10	108.606
H8	C6	H11	108.606	H9	C7	H12	108.606
H9	C7	H13	108.606	H10	C6	H11	107.228
H12	C7	H13	107.228

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

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

States and conformations

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