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	hartrees
Energy at 0K	-32.689647
Energy at 298.15K	-32.696635
HF Energy	-32.044643
Nuclear repulsion energy	84.749620

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3178	3028	24.39
2	A₁	3156	3007	8.35
3	A₁	3052	2908	54.21
4	A₁	2010	1915	11.32
5	A₁	1542	1469	0.25
6	A₁	1495	1424	2.20
7	A₁	1447	1378	0.58
8	A₁	1319	1257	12.96
9	A₁	1038	989	5.31
10	A₁	734	699	0.00
11	A₁	337	321	0.07
12	A₂	3131	2983	0.00
13	A₂	1508	1436	0.00
14	A₂	1016	968	0.00
15	A₂	622	593	0.00
16	A₂	141	134	0.00
17	B₁	3248	3095	5.56
18	B₁	3131	2984	51.64
19	B₁	1525	1453	18.11
20	B₁	1112	1060	0.43
21	B₁	1033	985	0.34
22	B₁	432	412	0.26
23	B₁	269	257	7.24
24	B₁	153	146	1.42
25	B₂	3178	3028	16.48
26	B₂	3050	2906	23.57
27	B₂	1520	1448	7.45
28	B₂	1430	1363	5.74
29	B₂	1244	1185	4.41
30	B₂	984	938	0.18
31	B₂	845	805	62.93
32	B₂	597	569	10.55
33	B₂	181	173	0.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	2.296
C2	0.000	0.000	0.971
H3	-0.931	0.000	2.860
H4	0.931	0.000	2.860
C5	0.000	0.000	-0.354
C6	0.000	1.296	-1.150
C7	0.000	-1.296	-1.150
H8	0.000	2.167	-0.490
H9	0.000	-2.167	-0.490
H10	0.885	1.343	-1.797
H11	-0.885	1.343	-1.797
H12	-0.885	-1.343	-1.797
H13	0.885	-1.343	-1.797

	C1	C2	H3	H4	C5	C6	C7	H8	H9	H10	H11	H12	H13
C1		1.3252	1.0885	1.0885	2.6500	3.6815	3.6815	3.5290	3.5290	4.3978	4.3978	4.3978	4.3978
C2	1.3252		2.1064	2.1064	1.3248	2.4854	2.4854	2.6130	2.6130	3.2013	3.2013	3.2013	3.2013
H3	1.0885	2.1064		1.8614	3.3465	4.3161	4.3161	4.0967	4.0967	5.1763	4.8476	4.8476	5.1763
H4	1.0885	2.1064	1.8614		3.3465	4.3161	4.3161	4.0967	4.0967	4.8476	5.1763	5.1763	4.8476
C5	2.6500	1.3248	3.3465	3.3465		1.5210	1.5210	2.1713	2.1713	2.1609	2.1609	2.1609	2.1609
C6	3.6815	2.4854	4.3161	4.3161	1.5210		2.5924	1.0930	3.5257	1.0976	1.0976	2.8578	2.8578
C7	3.6815	2.4854	4.3161	4.3161	1.5210	2.5924		3.5257	1.0930	2.8578	2.8578	1.0976	1.0976
H8	3.5290	2.6130	4.0967	4.0967	2.1713	1.0930	3.5257		4.3341	1.7814	1.7814	3.8488	3.8488
H9	3.5290	2.6130	4.0967	4.0967	2.1713	3.5257	1.0930	4.3341		3.8488	3.8488	1.7814	1.7814
H10	4.3978	3.2013	5.1763	4.8476	2.1609	1.0976	2.8578	1.7814	3.8488		1.7702	3.2166	2.6857
H11	4.3978	3.2013	4.8476	5.1763	2.1609	1.0976	2.8578	1.7814	3.8488	1.7702		2.6857	3.2166
H12	4.3978	3.2013	4.8476	5.1763	2.1609	2.8578	1.0976	3.8488	1.7814	3.2166	2.6857		1.7702
H13	4.3978	3.2013	5.1763	4.8476	2.1609	2.8578	1.0976	3.8488	1.7814	2.6857	3.2166	1.7702

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	180.000	C2	C1	H3	121.239
C2	C1	H4	121.239	C2	C5	C6	121.547
C2	C5	C7	121.547	H3	C1	H4	117.522
C5	C6	H8	111.274	C5	C6	H10	110.172
C5	C6	H11	110.172	C5	C7	H9	111.274
C5	C7	H12	110.172	C5	C7	H13	110.172
C6	C5	C7	116.905	H8	C6	H10	108.820
H8	C6	H11	108.820	H9	C7	H12	108.820
H9	C7	H13	108.820	H10	C6	H11	107.488
H12	C7	H13	107.488

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

using model chemistry: MP2/CEP-121G*

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-121G*

States and conformations

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