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	hartrees
Energy at 0K	-156.695535
Energy at 298.15K	-156.703264
HF Energy	-156.122462
Nuclear repulsion energy	115.169634

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3191	3033	0.00
2	A	3178	3020	0.00
3	A	3078	2925	0.00
4	A	1749	1663	0.00
5	A	1489	1415	0.00
6	A	1412	1342	0.00
7	A	1321	1255	0.00
8	A	1176	1118	0.00
9	A	887	843	0.00
10	A	501	476	0.00
11	A	3161	3005	36.62
12	A	1479	1406	12.04
13	A	1068	1015	0.78
14	A	1003	953	28.25
15	A	247	235	3.06
16	A	177	168	1.19
17	A	3162	3005	0.00
18	A	1479	1406	0.00
19	A	1055	1003	0.00
20	A	743	706	0.00
21	A	227	216	0.00
22	A	3195	3037	64.07
23	A	3178	3020	8.19
24	A	3078	2925	58.64
25	A	1496	1422	16.42
26	A	1412	1342	2.46
27	A	1317	1252	4.74
28	A	1113	1058	2.65
29	A	983	934	11.46
30	A	280	266	0.89

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.674	0.000
C2	0.000	-0.674	0.000
C3	-1.237	1.529	0.000
C4	1.237	-1.529	0.000
H5	0.967	1.197	0.000
H6	-0.967	-1.197	0.000
H7	-2.147	0.910	0.000
H8	2.147	-0.910	0.000
H9	-1.267	2.185	0.886
H10	-1.267	2.185	-0.886
H11	1.267	-2.185	0.886
H12	1.267	-2.185	-0.886

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3482	1.5032	2.5262	1.0990	2.1060	2.1600	2.6680	2.1620	2.1620	3.2506	3.2506
C2	1.3482		2.5262	1.5032	2.1060	1.0990	2.6680	2.1600	3.2506	3.2506	2.1620	2.1620
C3	1.5032	2.5262		3.9326	2.2280	2.7391	1.1012	4.1707	1.1033	1.1033	4.5659	4.5659
C4	2.5262	1.5032	3.9326		2.7391	2.2280	4.1707	1.1012	4.5659	4.5659	1.1033	1.1033
H5	1.0990	2.1060	2.2280	2.7391		3.0772	3.1270	2.4148	2.5984	2.5984	3.5092	3.5092
H6	2.1060	1.0990	2.7391	2.2280	3.0772		2.4148	3.1270	3.5092	3.5092	2.5984	2.5984
H7	2.1600	2.6680	1.1012	4.1707	3.1270	2.4148		4.6637	1.7852	1.7852	4.6925	4.6925
H8	2.6680	2.1600	4.1707	1.1012	2.4148	3.1270	4.6637		4.6925	4.6925	1.7852	1.7852
H9	2.1620	3.2506	1.1033	4.5659	2.5984	3.5092	1.7852	4.6925		1.7726	5.0519	5.3538
H10	2.1620	3.2506	1.1033	4.5659	2.5984	3.5092	1.7852	4.6925	1.7726		5.3538	5.0519
H11	3.2506	2.1620	4.5659	1.1033	3.5092	2.5984	4.6925	1.7852	5.0519	5.3538		1.7726
H12	3.2506	2.1620	4.5659	1.1033	3.5092	2.5984	4.6925	1.7852	5.3538	5.0519	1.7726

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	124.653	C1	C2	H6	118.410
C1	C3	H7	111.130	C1	C3	H9	111.165
C1	C3	H10	111.165	C2	C1	C3	124.653
C2	C1	H5	118.410	C2	C4	H8	111.130
C2	C4	H11	111.165	C2	C4	H12	111.165
C3	C1	H5	116.937	C4	C2	H6	116.937
H7	C3	H9	108.157	H7	C3	H10	108.157
H8	C4	H11	108.157	H8	C4	H12	108.157
H9	C3	H10	106.898	H11	C4	H12	106.898

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

using model chemistry: MP2=FULL/cc-pVDZ

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=FULL/cc-pVDZ

States and conformations

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