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	hartrees
Energy at 0K	-32.618197
Energy at 298.15K	-32.625087
HF Energy	-32.016606
Nuclear repulsion energy	83.865883

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3195	3034	25.59
2	A₁	3174	3013	9.71
3	A₁	3072	2917	53.97
4	A₁	2047	1943	8.34
5	A₁	1535	1457	0.07
6	A₁	1489	1414	3.18
7	A₁	1443	1370	0.34
8	A₁	1320	1253	18.03
9	A₁	1038	986	8.41
10	A₁	739	701	0.06
11	A₁	333	316	0.06
12	A₂	3158	2999	0.00
13	A₂	1501	1425	0.00
14	A₂	1024	972	0.00
15	A₂	610	579	0.00
16	A₂	164	156	0.00
17	B₁	3267	3102	8.07
18	B₁	3158	2998	59.17
19	B₁	1515	1439	20.55
20	B₁	1114	1058	0.15
21	B₁	1000	949	0.26
22	B₁	393	373	1.20
23	B₁	252	239	7.18
24	B₁	171	162	2.12
25	B₂	3194	3032	15.22
26	B₂	3073	2917	26.16
27	B₂	1507	1431	6.27
28	B₂	1429	1357	4.14
29	B₂	1258	1195	4.93
30	B₂	986	936	0.62
31	B₂	806	765	78.87
32	B₂	550	522	5.41
33	B₂	168	160	0.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	2.302
C2	0.000	0.000	0.948
H3	-0.941	0.000	2.866
H4	0.941	0.000	2.866
C5	0.000	0.000	-0.399
C6	0.000	1.303	-1.198
C7	0.000	-1.303	-1.198
H8	0.000	2.180	-0.531
H9	0.000	-2.180	-0.531
H10	0.892	1.349	-1.850
H11	-0.892	1.349	-1.850
H12	-0.892	-1.349	-1.850
H13	0.892	-1.349	-1.850

	C1	C2	H3	H4	C5	C6	C7	H8	H9	H10	H11	H12	H13
C1		1.3536	1.0972	1.0972	2.7014	3.7346	3.7346	3.5751	3.5751	4.4563	4.4563	4.4563	4.4563
C2	1.3536		2.1360	2.1360	1.3478	2.5110	2.5110	2.6350	2.6350	3.2326	3.2326	3.2326	3.2326
H3	1.0972	2.1360		1.8825	3.3983	4.3701	4.3701	4.1449	4.1449	5.2369	4.9057	4.9057	5.2369
H4	1.0972	2.1360	1.8825		3.3983	4.3701	4.3701	4.1449	4.1449	4.9057	5.2369	5.2369	4.9057
C5	2.7014	1.3478	3.3983	3.3983		1.5285	1.5285	2.1844	2.1844	2.1729	2.1729	2.1729	2.1729
C6	3.7346	2.5110	4.3701	4.3701	1.5285		2.6070	1.1014	3.5470	1.1063	1.1063	2.8738	2.8738
C7	3.7346	2.5110	4.3701	4.3701	1.5285	2.6070		3.5470	1.1014	2.8738	2.8738	1.1063	1.1063
H8	3.5751	2.6350	4.1449	4.1449	2.1844	1.1014	3.5470		4.3607	1.7963	1.7963	3.8722	3.8722
H9	3.5751	2.6350	4.1449	4.1449	2.1844	3.5470	1.1014	4.3607		3.8722	3.8722	1.7963	1.7963
H10	4.4563	3.2326	5.2369	4.9057	2.1729	1.1063	2.8738	1.7963	3.8722		1.7843	3.2351	2.6985
H11	4.4563	3.2326	4.9057	5.2369	2.1729	1.1063	2.8738	1.7963	3.8722	1.7843		2.6985	3.2351
H12	4.4563	3.2326	4.9057	5.2369	2.1729	2.8738	1.1063	3.8722	1.7963	3.2351	2.6985		1.7843
H13	4.4563	3.2326	5.2369	4.9057	2.1729	2.8738	1.1063	3.8722	1.7963	2.6985	3.2351	1.7843

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	180.000	C2	C1	H3	120.924
C2	C1	H4	120.924	C2	C5	C6	121.484
C2	C5	C7	121.484	H3	C1	H4	118.152
C5	C6	H8	111.279	C5	C6	H10	110.082
C5	C6	H11	110.082	C5	C7	H9	111.279
C5	C7	H12	110.082	C5	C7	H13	110.082
C6	C5	C7	117.031	H8	C6	H10	108.907
H8	C6	H11	108.907	H9	C7	H12	108.907
H9	C7	H13	108.907	H10	C6	H11	107.491
H12	C7	H13	107.491

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

using model chemistry: MP2/CEP-31G*

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/CEP-31G*

States and conformations

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