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	hartrees
Energy at 0K	-26.838894
Energy at 298.15K	-26.846579
Nuclear repulsion energy	64.024500

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3139	3033	0.00
2	A	3124	3019	0.00
3	A	3021	2919	0.00
4	A	1691	1634	0.00
5	A	1527	1476	0.00
6	A	1460	1411	0.00
7	A	1349	1304	0.00
8	A	1189	1149	0.00
9	A	880	851	0.00
10	A	492	475	0.00
11	A	3109	3004	108.16
12	A	1503	1452	19.13
13	A	1099	1062	2.64
14	A	1010	976	69.22
15	A	244	236	6.00
16	A	168	163	1.04
17	A	3109	3005	0.00
18	A	1503	1452	0.00
19	A	1084	1048	0.00
20	A	758	733	0.00
21	A	214	207	0.00
22	A	3139	3033	149.60
23	A	3119	3014	20.41
24	A	3020	2918	100.56
25	A	1533	1481	18.06
26	A	1460	1411	8.27
27	A	1346	1301	2.52
28	A	1089	1052	0.24
29	A	1009	975	14.11
30	A	277	268	0.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.695	0.000
C2	0.000	-0.695	0.000
C3	-1.280	1.557	0.000
C4	1.280	-1.557	0.000
H5	0.968	1.229	0.000
H6	-0.968	-1.229	0.000
H7	-2.185	0.914	0.000
H8	2.185	-0.914	0.000
H9	-1.320	2.214	0.897
H10	-1.320	2.214	-0.897
H11	1.320	-2.214	0.897
H12	1.320	-2.214	-0.897

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3892	1.5434	2.5901	1.1058	2.1532	2.1960	2.7131	2.2041	2.2041	3.3181	3.3181
C2	1.3892		2.5901	1.5434	2.1532	1.1058	2.7131	2.1960	3.3181	3.3181	2.2041	2.2041
C3	1.5434	2.5901		4.0313	2.2721	2.8032	1.1107	4.2557	1.1128	1.1128	4.6680	4.6680
C4	2.5901	1.5434	4.0313		2.8032	2.2721	4.2557	1.1107	4.6680	4.6680	1.1128	1.1128
H5	1.1058	2.1532	2.2721	2.8032		3.1287	3.1691	2.4637	2.6486	2.6486	3.5752	3.5752
H6	2.1532	1.1058	2.8032	2.2721	3.1287		2.4637	3.1691	3.5752	3.5752	2.6486	2.6486
H7	2.1960	2.7131	1.1107	4.2557	3.1691	2.4637		4.7368	1.8012	1.8012	4.7830	4.7830
H8	2.7131	2.1960	4.2557	1.1107	2.4637	3.1691	4.7368		4.7830	4.7830	1.8012	1.8012
H9	2.2041	3.3181	1.1128	4.6680	2.6486	3.5752	1.8012	4.7830		1.7944	5.1562	5.4595
H10	2.2041	3.3181	1.1128	4.6680	2.6486	3.5752	1.8012	4.7830	1.7944		5.4595	5.1562
H11	3.3181	2.2041	4.6680	1.1128	3.5752	2.6486	4.7830	1.8012	5.1562	5.4595		1.7944
H12	3.3181	2.2041	4.6680	1.1128	3.5752	2.6486	4.7830	1.8012	5.4595	5.1562	1.7944

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	123.983	C1	C2	H6	118.872
C1	C3	H7	110.609	C1	C3	H9	111.115
C1	C3	H10	111.115	C2	C1	C3	123.983
C2	C1	H5	118.872	C2	C4	H8	110.609
C2	C4	H11	111.115	C2	C4	H12	111.115
C3	C1	H5	117.145	C4	C2	H6	117.145
H7	C3	H9	108.205	H7	C3	H10	108.205
H8	C4	H11	108.205	H8	C4	H12	108.205
H9	C3	H10	107.462	H11	C4	H12	107.462

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

using model chemistry: MP2/CEP-31G

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/CEP-31G

States and conformations

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