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	hartrees
Energy at 0K	-32.339945
Energy at 298.15K	-32.346834
HF Energy	-31.934688
Nuclear repulsion energy	82.833491

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3143	3037	48.92
2	A₁	3131	3025	16.89
3	A₁	3018	2916	73.44
4	A₁	1980	1913	6.57
5	A₁	1537	1485	0.34
6	A₁	1506	1455	2.21
7	A₁	1456	1407	0.06
8	A₁	1314	1270	15.75
9	A₁	1036	1001	7.36
10	A₁	713	689	0.00
11	A₁	335	324	0.07
12	A₂	3107	3002	0.00
13	A₂	1504	1454	0.00
14	A₂	1035	1001	0.00
15	A₂	615	594	0.00
16	A₂	150	145	0.00
17	B₁	3228	3119	22.04
18	B₁	3109	3004	102.23
19	B₁	1515	1464	21.42
20	B₁	1131	1093	0.13
21	B₁	1039	1004	0.09
22	B₁	420	406	2.24
23	B₁	226	219	7.63
24	B₁	167	161	1.85
25	B₂	3141	3035	29.40
26	B₂	3018	2916	38.03
27	B₂	1517	1466	6.25
28	B₂	1439	1391	4.80
29	B₂	1235	1193	7.54
30	B₂	992	959	0.49
31	B₂	872	843	82.95
32	B₂	556	537	7.45
33	B₂	163	158	1.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	2.339
C2	0.000	0.000	0.968
H3	-0.943	0.000	2.911
H4	0.943	0.000	2.911
C5	0.000	0.000	-0.400
C6	0.000	1.318	-1.221
C7	0.000	-1.318	-1.221
H8	0.000	2.205	-0.556
H9	0.000	-2.205	-0.556
H10	0.898	1.361	-1.877
H11	-0.898	1.361	-1.877
H12	-0.898	-1.361	-1.877
H13	0.898	-1.361	-1.877

	C1	C2	H3	H4	C5	C6	C7	H8	H9	H10	H11	H12	H13
C1		1.3717	1.1028	1.1028	2.7390	3.7962	3.7962	3.6395	3.6395	4.5204	4.5204	4.5204	4.5204
C2	1.3717		2.1600	2.1600	1.3674	2.5546	2.5546	2.6801	2.6801	3.2786	3.2786	3.2786	3.2786
H3	1.1028	2.1600		1.8862	3.4423	4.4382	4.4382	4.2157	4.2157	5.3069	4.9775	4.9775	5.3069
H4	1.1028	2.1600	1.8862		3.4423	4.4382	4.4382	4.2157	4.2157	4.9775	5.3069	5.3069	4.9775
C5	2.7390	1.3674	3.4423	3.4423		1.5527	1.5527	2.2101	2.2101	2.2002	2.2002	2.2002	2.2002
C6	3.7962	2.5546	4.4382	4.4382	1.5527		2.6355	1.1080	3.5844	1.1130	1.1130	2.9007	2.9007
C7	3.7962	2.5546	4.4382	4.4382	1.5527	2.6355		3.5844	1.1080	2.9007	2.9007	1.1130	1.1130
H8	3.6395	2.6801	4.2157	4.2157	2.2101	1.1080	3.5844		4.4091	1.8057	1.8057	3.9069	3.9069
H9	3.6395	2.6801	4.2157	4.2157	2.2101	3.5844	1.1080	4.4091		3.9069	3.9069	1.8057	1.8057
H10	4.5204	3.2786	5.3069	4.9775	2.2002	1.1130	2.9007	1.8057	3.9069		1.7964	3.2617	2.7224
H11	4.5204	3.2786	4.9775	5.3069	2.2002	1.1130	2.9007	1.8057	3.9069	1.7964		2.7224	3.2617
H12	4.5204	3.2786	4.9775	5.3069	2.2002	2.9007	1.1130	3.9069	1.8057	3.2617	2.7224		1.7964
H13	4.5204	3.2786	5.3069	4.9775	2.2002	2.9007	1.1130	3.9069	1.8057	2.7224	3.2617	1.7964

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	180.000	C2	C1	H3	121.219
C2	C1	H4	121.219	C2	C5	C6	121.928
C2	C5	C7	121.928	H3	C1	H4	117.562
C5	C6	H8	111.234	C5	C6	H10	110.167
C5	C6	H11	110.167	C5	C7	H9	111.234
C5	C7	H12	110.167	C5	C7	H13	110.167
C6	C5	C7	116.145	H8	C6	H10	108.786
H8	C6	H11	108.786	H9	C7	H12	108.786
H9	C7	H13	108.786	H10	C6	H11	107.612
H12	C7	H13	107.612

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-)