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	hartrees
Energy at 0K	-156.742706
Energy at 298.15K	-156.750429
HF Energy	-156.150034
Nuclear repulsion energy	115.650723

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3170	3012	0.00
2	A	3158	3001	0.00
3	A	3065	2912	0.00
4	A	1736	1649	0.00
5	A	1513	1437	0.00
6	A	1428	1357	0.00
7	A	1329	1263	0.00
8	A	1181	1123	0.00
9	A	888	843	0.00
10	A	504	479	0.00
11	A	3138	2982	42.22
12	A	1497	1422	13.42
13	A	1079	1025	1.13
14	A	995	945	36.21
15	A	245	233	3.48
16	A	172	164	1.03
17	A	3139	2982	0.00
18	A	1497	1423	0.00
19	A	1063	1010	0.00
20	A	735	698	0.00
21	A	221	210	0.00
22	A	3176	3017	70.59
23	A	3157	3000	10.18
24	A	3064	2912	56.31
25	A	1519	1443	17.68
26	A	1428	1357	4.63
27	A	1330	1264	3.96
28	A	1105	1050	2.08
29	A	994	945	10.12
30	A	281	267	0.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.329	0.584	0.000
C2	-0.329	-0.584	0.000
C3	-0.329	1.933	0.000
C4	0.329	-1.933	0.000
H5	1.420	0.568	0.000
H6	-1.420	-0.568	0.000
H7	-1.419	1.836	0.000
H8	1.419	-1.836	0.000
H9	-0.037	2.514	0.882
H10	-0.037	2.514	-0.882
H11	0.037	-2.514	0.882
H12	0.037	-2.514	-0.882

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3409	1.5018	2.5174	1.0908	2.0945	2.1502	2.6537	2.1534	2.1534	3.2343	3.2343
C2	1.3409		2.5174	1.5018	2.0945	1.0908	2.6537	2.1502	3.2343	3.2343	2.1534	2.1534
C3	1.5018	2.5174		3.9227	2.2196	2.7285	1.0936	4.1551	1.0954	1.0954	4.5489	4.5489
C4	2.5174	1.5018	3.9227		2.7285	2.2196	4.1551	1.0936	4.5489	4.5489	1.0954	1.0954
H5	1.0908	2.0945	2.2196	2.7285		3.0586	3.1093	2.4035	2.5865	2.5865	3.4909	3.4909
H6	2.0945	1.0908	2.7285	2.2196	3.0586		2.4035	3.1093	3.4909	3.4909	2.5865	2.5865
H7	2.1502	2.6537	1.0936	4.1551	3.1093	2.4035		4.6404	1.7737	1.7737	4.6711	4.6711
H8	2.6537	2.1502	4.1551	1.0936	2.4035	3.1093	4.6404		4.6711	4.6711	1.7737	1.7737
H9	2.1534	3.2343	1.0954	4.5489	2.5865	3.4909	1.7737	4.6711		1.7633	5.0287	5.3289
H10	2.1534	3.2343	1.0954	4.5489	2.5865	3.4909	1.7737	4.6711	1.7633		5.3289	5.0287
H11	3.2343	2.1534	4.5489	1.0954	3.4909	2.5865	4.6711	1.7737	5.0287	5.3289		1.7633
H12	3.2343	2.1534	4.5489	1.0954	3.4909	2.5865	4.6711	1.7737	5.3289	5.0287	1.7633

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	124.547	C1	C2	H6	118.569
C1	C3	H7	110.908	C1	C3	H9	111.052
C1	C3	H10	111.052	C2	C1	C3	124.547
C2	C1	H5	118.569	C2	C4	H8	110.908
C2	C4	H11	111.052	C2	C4	H12	111.052
C3	C1	H5	116.884	C4	C2	H6	116.884
H7	C3	H9	108.246	H7	C3	H10	108.246
H8	C4	H11	108.246	H8	C4	H12	108.246
H9	C3	H10	107.195	H11	C4	H12	107.195

All results from a given calculation for CH₃CHCHCH₃ (2-Butene, (E)-)

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 CH3CHCHCH3 (2-Butene, (E)-)

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

States and conformations

All results from a given calculation for CH₃CHCHCH₃ (2-Butene, (E)-)