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	hartrees
Energy at 0K	-192.889732
Energy at 298.15K	-192.896517
Nuclear repulsion energy	156.011018

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3539	3111	0.10
2	A₁	3404	2991	20.64
3	A₁	3345	2940	2.10
4	A₁	2258	1984	0.03
5	A₁	1698	1493	1.24
6	A₁	1633	1435	1.94
7	A₁	1580	1388	5.35
8	A₁	1445	1270	13.45
9	A₁	1108	973	12.18
10	A₁	791	695	0.00
11	A₁	346	304	0.21
12	A₂	3500	3076	0.00
13	A₂	1676	1473	0.00
14	A₂	1099	966	0.00
15	A₂	667	587	0.00
16	A₂	141	124	0.00
17	B₁	3537	3109	0.91
18	B₁	3500	3076	0.98
19	B₁	1682	1478	10.32
20	B₁	1197	1052	4.06
21	B₁	1112	977	0.04
22	B₁	466	409	1.01
23	B₁	267	235	2.49
24	B₁	155	136	0.30
25	B₂	3537	3109	0.07
26	B₂	3344	2939	0.49
27	B₂	1685	1481	2.69
28	B₂	1566	1376	0.38
29	B₂	1331	1170	4.51
30	B₂	1063	935	1.21
31	B₂	954	839	30.82
32	B₂	628	552	1.89
33	B₂	186	163	0.10

Number	Element	Mulliken
1	C	-0.200
2	C	-0.012
3	H	0.090
4	H	0.090
5	C	-0.020
6	C	-0.231
7	C	-0.231
8	H	0.088
9	H	0.088
10	H	0.085
11	H	0.085
12	H	0.085
13	H	0.085

	x	y	z	Total
	0.000	0.000	-0.524	0.524
CHELPG
AIM
ESP

	x	y	z
x	2.670	0.000	0.000
y	0.000	2.972	0.000
z	0.000	0.000	8.189

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

using model chemistry: mPW1PW91/STO-3G

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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<r²>	143.206
(<r²>)^1/2	11.967