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	hartrees
Energy at 0K	-194.722630
Energy at 298.15K	-194.730206
HF Energy	-194.004792
Nuclear repulsion energy	160.162849

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3284	3121	11.65
2	A'	3273	3110	11.25
3	A'	3192	3033	3.87
4	A'	3178	3020	12.99
5	A'	3175	3017	16.74
6	A'	3174	3016	2.18
7	A'	3070	2917	17.16
8	A'	1701	1617	1.80
9	A'	1650	1568	12.55
10	A'	1520	1445	6.99
11	A'	1470	1397	0.88
12	A'	1444	1372	3.94
13	A'	1419	1349	6.79
14	A'	1343	1276	0.59
15	A'	1319	1253	0.14
16	A'	1090	1035	3.16
17	A'	1012	961	0.24
18	A'	974	926	0.48
19	A'	804	764	0.14
20	A'	531	504	0.11
21	A'	418	398	1.38
22	A'	282	268	0.67
23	A"	3146	2990	15.62
24	A"	1498	1424	8.33
25	A"	1074	1020	0.95
26	A"	1004	954	22.04
27	A"	885	841	40.75
28	A"	870	827	33.95
29	A"	766	728	0.84
30	A"	627	596	0.34
31	A"	380	361	8.62
32	A"	209	199	0.46
33	A"	143	136	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	-0.586	1.740	0.000
C2	0.000	0.525	0.000
C3	-0.833	-0.684	0.000
C4	-0.366	-1.947	0.000
C5	1.498	0.370	0.000
H6	-1.668	1.839	0.000
H7	0.002	2.652	0.000
H8	-1.910	-0.521	0.000
H9	0.696	-2.167	0.000
H10	-1.048	-2.791	0.000
H11	1.989	1.346	0.000
H12	1.830	-0.187	0.883
H13	1.830	-0.187	-0.883

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.3487	2.4366	3.6930	2.4941	1.0863	1.0857	2.6200	4.1115	4.5543	2.6045	3.2134	3.2134
C2	1.3487		1.4683	2.4986	1.5063	2.1232	2.1275	2.1777	2.7802	3.4776	2.1515	2.1527	2.1527
C3	2.4366	1.4683		1.3458	2.5584	2.6579	3.4396	1.0896	2.1297	2.1177	3.4760	2.8491	2.8491
C4	3.6930	2.4986	1.3458		2.9738	4.0032	4.6139	2.1014	1.0851	1.0849	4.0481	2.9497	2.9497
C5	2.4941	1.5063	2.5584	2.9738		3.4903	2.7293	3.5229	2.6603	4.0586	1.0923	1.0951	1.0951
H6	1.0863	2.1232	2.6579	4.0032	3.4903		1.8573	2.3724	4.6513	4.6716	3.6895	4.1370	4.1370
H7	1.0857	2.1275	3.4396	4.6139	2.7293	1.8573		3.7050	4.8689	5.5438	2.3778	3.4900	3.4900
H8	2.6200	2.1777	1.0896	2.1014	3.5229	2.3724	3.7050		3.0825	2.4286	4.3227	3.8572	3.8572
H9	4.1115	2.7802	2.1297	1.0851	2.6603	4.6513	4.8689	3.0825		1.8521	3.7428	2.4465	2.4465
H10	4.5543	3.4776	2.1177	1.0849	4.0586	4.6716	5.5438	2.4286	1.8521		5.1315	3.9802	3.9802
H11	2.6045	2.1515	3.4760	4.0481	1.0923	3.6895	2.3778	4.3227	3.7428	5.1315		1.7758	1.7758
H12	3.2134	2.1527	2.8491	2.9497	1.0951	4.1370	3.4900	3.8572	2.4465	3.9802	1.7758		1.7661
H13	3.2134	2.1527	2.8491	2.9497	1.0951	4.1370	3.4900	3.8572	2.4465	3.9802	1.7758	1.7661

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	119.696	C1	C2	C5	121.658
C2	C1	H6	120.994	C2	C1	H7	121.464
C2	C3	C4	125.162	C2	C3	H8	115.932
C2	C5	H11	110.767	C2	C5	H12	110.695
C2	C5	H13	110.695	C3	C2	C5	118.646
C3	C4	H9	121.977	C3	C4	H10	120.829
C4	C3	H8	118.906	H6	C1	H7	117.542
H9	C4	H10	117.194	H11	C5	H12	108.547
H11	C5	H13	108.547	H12	C5	H13	107.487

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

using model chemistry: MP2/6-311G**

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: MP2/6-311G**

States and conformations

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