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	hartrees
Energy at 0K	-194.703762
Energy at 298.15K	-194.710802
HF Energy	-193.984986
Nuclear repulsion energy	156.925130

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3179	3021	18.69
2	A₁	3162	3005	5.34
3	A₁	3061	2908	45.69
4	A₁	2050	1948	11.80
5	A₁	1531	1454	0.04
6	A₁	1483	1409	2.96
7	A₁	1425	1354	0.60
8	A₁	1322	1256	11.36
9	A₁	1033	982	6.05
10	A₁	743	706	0.04
11	A₁	337	320	0.06
12	A₂	3132	2976	0.00
13	A₂	1492	1417	0.00
14	A₂	1013	962	0.00
15	A₂	625	593	0.00
16	A₂	155	148	0.00
17	B₁	3250	3088	3.42
18	B₁	3133	2977	41.56
19	B₁	1508	1432	15.92
20	B₁	1105	1050	0.04
21	B₁	1020	970	0.42
22	B₁	424	403	0.49
23	B₁	257	244	5.09
24	B₁	175	166	1.54
25	B₂	3178	3020	13.22
26	B₂	3059	2906	19.00
27	B₂	1506	1431	6.43
28	B₂	1410	1340	5.04
29	B₂	1243	1181	4.53
30	B₂	982	933	0.18
31	B₂	859	817	48.96
32	B₂	593	564	10.44
33	B₂	179	170	0.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	2.248
C2	0.000	0.000	0.933
H3	-0.930	0.000	2.811
H4	0.930	0.000	2.811
C5	0.000	0.000	-0.382
C6	0.000	1.287	-1.174
C7	0.000	-1.287	-1.174
H8	0.000	2.159	-0.518
H9	0.000	-2.159	-0.518
H10	0.884	1.333	-1.821
H11	-0.884	1.333	-1.821
H12	-0.884	-1.333	-1.821
H13	0.884	-1.333	-1.821

	C1	C2	H3	H4	C5	C6	C7	H8	H9	H10	H11	H12	H13
C1		1.3150	1.0867	1.0867	2.6305	3.6566	3.6566	3.5091	3.5091	4.3724	4.3724	4.3724	4.3724
C2	1.3150		2.0951	2.0951	1.3155	2.4695	2.4695	2.6016	2.6016	3.1850	3.1850	3.1850	3.1850
H3	1.0867	2.0951		1.8596	3.3256	4.2898	4.2898	4.0751	4.0751	5.1498	4.8200	4.8200	5.1498
H4	1.0867	2.0951	1.8596		3.3256	4.2898	4.2898	4.0751	4.0751	4.8200	5.1498	5.1498	4.8200
C5	2.6305	1.3155	3.3256	3.3256		1.5113	1.5113	2.1636	2.1636	2.1513	2.1513	2.1513	2.1513
C6	3.6566	2.4695	4.2898	4.2898	1.5113		2.5741	1.0918	3.5084	1.0963	1.0963	2.8396	2.8396
C7	3.6566	2.4695	4.2898	4.2898	1.5113	2.5741		3.5084	1.0918	2.8396	2.8396	1.0963	1.0963
H8	3.5091	2.6016	4.0751	4.0751	2.1636	1.0918	3.5084		4.3187	1.7786	1.7786	3.8309	3.8309
H9	3.5091	2.6016	4.0751	4.0751	2.1636	3.5084	1.0918	4.3187		3.8309	3.8309	1.7786	1.7786
H10	4.3724	3.1850	5.1498	4.8200	2.1513	1.0963	2.8396	1.7786	3.8309		1.7680	3.1987	2.6656
H11	4.3724	3.1850	4.8200	5.1498	2.1513	1.0963	2.8396	1.7786	3.8309	1.7680		2.6656	3.1987
H12	4.3724	3.1850	4.8200	5.1498	2.1513	2.8396	1.0963	3.8309	1.7786	3.1987	2.6656		1.7680
H13	4.3724	3.1850	5.1498	4.8200	2.1513	2.8396	1.0963	3.8309	1.7786	2.6656	3.1987	1.7680

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	180.000	C2	C1	H3	121.171
C2	C1	H4	121.171	C2	C5	C6	121.611
C2	C5	C7	121.611	H3	C1	H4	117.658
C5	C6	H8	111.421	C5	C6	H10	110.167
C5	C6	H11	110.167	C5	C7	H9	111.421
C5	C7	H12	110.167	C5	C7	H13	110.167
C6	C5	C7	116.778	H8	C6	H10	108.749
H8	C6	H11	108.749	H9	C7	H12	108.749
H9	C7	H13	108.749	H10	C6	H11	107.485
H12	C7	H13	107.485

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

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

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: MP2/6-311G**

States and conformations

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