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	hartrees
Energy at 0K	-156.753376
Energy at 298.15K	-156.761086
HF Energy	-156.162745
Nuclear repulsion energy	116.026079

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3180	3015	0.00
2	A	3168	3003	0.00
3	A	3074	2914	0.00
4	A	1739	1648	0.00
5	A	1519	1440	0.00
6	A	1439	1364	0.00
7	A	1344	1274	0.00
8	A	1187	1125	0.00
9	A	890	843	0.00
10	A	508	481	0.00
11	A	3147	2983	38.24
12	A	1490	1413	13.45
13	A	1084	1027	1.94
14	A	977	926	40.36
15	A	245	232	3.77
16	A	167	158	1.29
17	A	3148	2984	0.00
18	A	1491	1413	0.00
19	A	1061	1006	0.00
20	A	706	669	0.00
21	A	221	209	0.00
22	A	3187	3021	67.30
23	A	3167	3002	13.00
24	A	3074	2914	57.91
25	A	1525	1446	18.01
26	A	1437	1362	4.41
27	A	1343	1273	3.92
28	A	1102	1045	2.17
29	A	1001	949	9.62
30	A	285	270	0.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.328	0.582	0.000
C2	-0.328	-0.582	0.000
C3	-0.328	1.927	0.000
C4	0.328	-1.927	0.000
H5	1.416	0.567	0.000
H6	-1.416	-0.567	0.000
H7	-1.414	1.832	0.000
H8	1.414	-1.832	0.000
H9	-0.037	2.506	0.879
H10	-0.037	2.506	-0.879
H11	0.037	-2.506	0.879
H12	0.037	-2.506	-0.879

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3355	1.4971	2.5089	1.0876	2.0880	2.1443	2.6464	2.1473	2.1473	3.2237	3.2237
C2	1.3355		2.5089	1.4971	2.0880	1.0876	2.6464	2.1443	3.2237	3.2237	2.1473	2.1473
C3	1.4971	2.5089		3.9100	2.2114	2.7211	1.0903	4.1431	1.0920	1.0920	4.5347	4.5347
C4	2.5089	1.4971	3.9100		2.7211	2.2114	4.1431	1.0903	4.5347	4.5347	1.0920	1.0920
H5	1.0876	2.0880	2.2114	2.7211		3.0498	3.0994	2.3988	2.5777	2.5777	3.4811	3.4811
H6	2.0880	1.0876	2.7211	2.2114	3.0498		2.3988	3.0994	3.4811	3.4811	2.5777	2.5777
H7	2.1443	2.6464	1.0903	4.1431	3.0994	2.3988		4.6282	1.7673	1.7673	4.6582	4.6582
H8	2.6464	2.1443	4.1431	1.0903	2.3988	3.0994	4.6282		4.6582	4.6582	1.7673	1.7673
H9	2.1473	3.2237	1.0920	4.5347	2.5777	3.4811	1.7673	4.6582		1.7579	5.0133	5.3126
H10	2.1473	3.2237	1.0920	4.5347	2.5777	3.4811	1.7673	4.6582	1.7579		5.3126	5.0133
H11	3.2237	2.1473	4.5347	1.0920	3.4811	2.5777	4.6582	1.7673	5.0133	5.3126		1.7579
H12	3.2237	2.1473	4.5347	1.0920	3.4811	2.5777	4.6582	1.7673	5.3126	5.0133	1.7579

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	124.581	C1	C2	H6	118.662
C1	C3	H7	110.964	C1	C3	H9	111.103
C1	C3	H10	111.103	C2	C1	C3	124.581
C2	C1	H5	118.662	C2	C4	H8	110.964
C2	C4	H11	111.103	C2	C4	H12	111.103
C3	C1	H5	116.757	C4	C2	H6	116.757
H7	C3	H9	108.158	H7	C3	H10	108.158
H8	C4	H11	108.158	H8	C4	H12	108.158
H9	C3	H10	107.204	H11	C4	H12	107.204

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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