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	hartrees
Energy at 0K	-194.695857
Energy at 298.15K	-194.703376
HF Energy	-193.976331
Nuclear repulsion energy	160.444685

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3341	3138	11.17
2	A'	3327	3125	12.08
3	A'	3245	3048	3.91
4	A'	3229	3032	13.25
5	A'	3225	3029	10.92
6	A'	3225	3029	11.91
7	A'	3114	2925	19.39
8	A'	1725	1620	2.49
9	A'	1675	1573	16.86
10	A'	1550	1456	7.74
11	A'	1502	1410	0.82
12	A'	1471	1381	2.26
13	A'	1448	1360	5.91
14	A'	1366	1283	0.61
15	A'	1346	1264	0.36
16	A'	1110	1043	3.01
17	A'	1031	969	0.20
18	A'	990	930	0.56
19	A'	812	762	0.18
20	A'	537	504	0.10
21	A'	425	399	1.28
22	A'	284	267	0.68
23	A"	3198	3003	13.56
24	A"	1518	1426	8.49
25	A"	1081	1015	1.93
26	A"	1013	951	25.24
27	A"	893	839	47.68
28	A"	880	826	45.22
29	A"	762	716	1.11
30	A"	627	589	1.01
31	A"	360	338	9.66
32	A"	196	184	0.62
33	A"	122	115	0.17

Atom	x (Å)	y (Å)	z (Å)
C1	-0.589	1.736	0.000
C2	0.000	0.523	0.000
C3	-0.829	-0.684	0.000
C4	-0.363	-1.947	0.000
C5	1.495	0.373	0.000
H6	-1.666	1.836	0.000
H7	-0.008	2.648	0.000
H8	-1.902	-0.525	0.000
H9	0.694	-2.170	0.000
H10	-1.041	-2.787	0.000
H11	1.979	1.347	0.000
H12	1.830	-0.178	0.879
H13	1.830	-0.178	-0.879

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.3487	2.4327	3.6902	2.4904	1.0817	1.0810	2.6151	4.1119	4.5462	2.5976	3.2074	3.2074
C2	1.3487		1.4647	2.4965	1.5025	2.1215	2.1246	2.1721	2.7813	3.4703	2.1438	2.1476	2.1476
C3	2.4327	1.4647		1.3458	2.5533	2.6561	3.4319	1.0853	2.1278	2.1135	3.4659	2.8458	2.8458
C4	3.6902	2.4965	1.3458		2.9722	4.0014	4.6084	2.0958	1.0804	1.0800	4.0416	2.9513	2.9513
C5	2.4904	1.5025	2.5533	2.9722		3.4834	2.7262	3.5142	2.6663	4.0523	1.0876	1.0902	1.0902
H6	1.0817	2.1215	2.6561	4.0014	3.4834		1.8463	2.3731	4.6501	4.6656	3.6780	4.1293	4.1293
H7	1.0810	2.1246	3.4319	4.6084	2.7262	1.8463		3.6954	4.8687	5.5324	2.3748	3.4832	3.4832
H8	2.6151	2.1721	1.0853	2.0958	3.5142	2.3731	3.6954		3.0740	2.4206	4.3094	3.8501	3.8501
H9	4.1119	2.7813	2.1278	1.0804	2.6663	4.6501	4.8687	3.0740		1.8420	3.7445	2.4560	2.4560
H10	4.5462	3.4703	2.1135	1.0800	4.0523	4.6656	5.5324	2.4206	1.8420		5.1201	3.9781	3.9781
H11	2.5976	2.1438	3.4659	4.0416	1.0876	3.6780	2.3748	4.3094	3.7445	5.1201		1.7664	1.7664
H12	3.2074	2.1476	2.8458	2.9513	1.0902	4.1293	3.4832	3.8501	2.4560	3.9781	1.7664		1.7585
H13	3.2074	2.1476	2.8458	2.9513	1.0902	4.1293	3.4832	3.8501	2.4560	3.9781	1.7664	1.7585

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	119.633	C1	C2	C5	121.627
C2	C1	H6	121.199	C2	C1	H7	121.570
C2	C3	C4	125.267	C2	C3	H8	116.020
C2	C5	H11	110.703	C2	C5	H12	110.851
C2	C5	H13	110.851	C3	C2	C5	118.740
C3	C4	H9	122.188	C3	C4	H10	120.817
C4	C3	H8	118.713	H6	C1	H7	117.231
H9	C4	H10	116.994	H11	C5	H12	108.409
H11	C5	H13	108.409	H12	C5	H13	107.509

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

using model chemistry: MP2=FULL/6-31+G**

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 (1,3-Butadiene, 2-methyl-)

using model chemistry: MP2=FULL/6-31+G**

States and conformations

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