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	hartrees
Energy at 0K	-194.683627
Energy at 298.15K	-194.691286
HF Energy	-193.969740
Nuclear repulsion energy	160.670990

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3349	3130	12.53
2	A'	3336	3118	12.16
3	A'	3253	3039	3.41
4	A'	3237	3025	13.22
5	A'	3235	3023	8.72
6	A'	3232	3020	11.06
7	A'	3125	2920	15.72
8	A'	1743	1629	1.41
9	A'	1692	1581	8.63
10	A'	1563	1460	5.73
11	A'	1511	1412	0.43
12	A'	1480	1383	2.56
13	A'	1456	1361	4.38
14	A'	1373	1283	0.60
15	A'	1352	1263	0.24
16	A'	1115	1042	3.64
17	A'	1035	967	0.19
18	A'	994	929	0.35
19	A'	815	762	0.13
20	A'	538	503	0.12
21	A'	426	398	1.35
22	A'	285	266	0.69
23	A"	3209	2998	16.15
24	A"	1539	1438	6.21
25	A"	1099	1027	0.09
26	A"	1030	963	18.61
27	A"	916	855	33.31
28	A"	904	845	38.19
29	A"	788	736	0.73
30	A"	644	602	0.20
31	A"	393	367	5.62
32	A"	214	200	0.39
33	A"	148	138	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.584	1.735	0.000
C2	0.000	0.523	0.000
C3	-0.830	-0.682	0.000
C4	-0.367	-1.942	0.000
C5	1.494	0.368	0.000
H6	-1.660	1.840	0.000
H7	-0.001	2.645	0.000
H8	-1.903	-0.521	0.000
H9	0.690	-2.165	0.000
H10	-1.043	-2.783	0.000
H11	1.983	1.339	0.000
H12	1.827	-0.184	0.878
H13	1.827	-0.184	-0.878

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.3450	2.4300	3.6833	2.4866	1.0809	1.0803	2.6129	4.1029	4.5414	2.5972	3.2040	3.2040
C2	1.3450		1.4638	2.4922	1.5016	2.1183	2.1214	2.1701	2.7755	3.4669	2.1442	2.1467	2.1467
C3	2.4300	1.4638		1.3420	2.5502	2.6550	3.4288	1.0846	2.1233	2.1115	3.4639	2.8419	2.8419
C4	3.6833	2.4922	1.3420		2.9659	3.9964	4.6011	2.0926	1.0797	1.0793	4.0352	2.9443	2.9443
C5	2.4866	1.5016	2.5502	2.9659		3.4796	2.7233	3.5105	2.6579	4.0453	1.0869	1.0895	1.0895
H6	1.0809	2.1183	2.6550	3.9964	3.4796		1.8435	2.3727	4.6431	4.6638	3.6769	4.1258	4.1258
H7	1.0803	2.1214	3.4288	4.6011	2.7233	1.8435		3.6925	4.8592	5.5269	2.3754	3.4808	3.4808
H8	2.6129	2.1701	1.0846	2.0926	3.5105	2.3727	3.6925		3.0700	2.4204	4.3076	3.8459	3.8459
H9	4.1029	2.7755	2.1233	1.0797	2.6579	4.6431	4.8592	3.0700		1.8394	3.7350	2.4467	2.4467
H10	4.5414	3.4669	2.1115	1.0793	4.0453	4.6638	5.5269	2.4204	1.8394		5.1132	3.9695	3.9695
H11	2.5972	2.1442	3.4639	4.0352	1.0869	3.6769	2.3754	4.3076	3.7350	5.1132		1.7650	1.7650
H12	3.2040	2.1467	2.8419	2.9443	1.0895	4.1258	3.4808	3.8459	2.4467	3.9695	1.7650		1.7556
H13	3.2040	2.1467	2.8419	2.9443	1.0895	4.1258	3.4808	3.8459	2.4467	3.9695	1.7650	1.7556

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	119.734	C1	C2	C5	121.646
C2	C1	H6	121.275	C2	C1	H7	121.640
C2	C3	C4	125.251	C2	C3	H8	115.964
C2	C5	H11	110.840	C2	C5	H12	110.883
C2	C5	H13	110.883	C3	C2	C5	118.620
C3	C4	H9	122.143	C3	C4	H10	121.008
C4	C3	H8	118.785	H6	C1	H7	117.084
H9	C4	H10	116.849	H11	C5	H12	108.382
H11	C5	H13	108.382	H12	C5	H13	107.350

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

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

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

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

States and conformations

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