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	hartrees
Energy at 0K	-156.410447
Energy at 298.15K	-156.418096
Nuclear repulsion energy	113.704379

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3136	3027	0.00
2	A	3115	3007	0.00
3	A	3010	2906	0.00
4	A	1691	1632	0.00
5	A	1539	1486	0.00
6	A	1462	1411	0.00
7	A	1345	1299	0.00
8	A	1187	1146	0.00
9	A	878	847	0.00
10	A	497	480	0.00
11	A	3099	2991	72.98
12	A	1520	1467	18.10
13	A	1102	1063	0.34
14	A	1000	965	54.58
15	A	239	231	5.63
16	A	162	156	1.10
17	A	3099	2991	0.00
18	A	1520	1468	0.00
19	A	1089	1051	0.00
20	A	730	705	0.00
21	A	208	201	0.00
22	A	3144	3035	101.60
23	A	3113	3005	32.70
24	A	3010	2905	77.80
25	A	1544	1490	21.08
26	A	1462	1412	12.35
27	A	1355	1308	1.54
28	A	1080	1043	0.38
29	A	1016	980	14.88
30	A	277	267	0.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.684	0.000
C2	0.000	-0.684	0.000
C3	-1.260	1.556	0.000
C4	1.260	-1.556	0.000
H5	0.965	1.212	0.000
H6	-0.965	-1.212	0.000
H7	-2.168	0.927	0.000
H8	2.168	-0.927	0.000
H9	-1.291	2.209	0.892
H10	-1.291	2.209	-0.892
H11	1.291	-2.209	0.892
H12	1.291	-2.209	-0.892

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3689	1.5318	2.5702	1.0999	2.1278	2.1818	2.7015	2.1877	2.1877	3.2914	3.2914
C2	1.3689		2.5702	1.5318	2.1278	1.0999	2.7015	2.1818	3.2914	3.2914	2.1877	2.1877
C3	1.5318	2.5702		4.0039	2.2515	2.7833	1.1049	4.2327	1.1059	1.1059	4.6341	4.6341
C4	2.5702	1.5318	4.0039		2.7833	2.2515	4.2327	1.1049	4.6341	4.6341	1.1059	1.1059
H5	1.0999	2.1278	2.2515	2.7833		3.0985	3.1464	2.4540	2.6229	2.6229	3.5501	3.5501
H6	2.1278	1.0999	2.7833	2.2515	3.0985		2.4540	3.1464	3.5501	3.5501	2.6229	2.6229
H7	2.1818	2.7015	1.1049	4.2327	3.1464	2.4540		4.7162	1.7913	1.7913	4.7534	4.7534
H8	2.7015	2.1818	4.2327	1.1049	2.4540	3.1464	4.7162		4.7534	4.7534	1.7913	1.7913
H9	2.1877	3.2914	1.1059	4.6341	2.6229	3.5501	1.7913	4.7534		1.7840	5.1169	5.4189
H10	2.1877	3.2914	1.1059	4.6341	2.6229	3.5501	1.7913	4.7534	1.7840		5.4189	5.1169
H11	3.2914	2.1877	4.6341	1.1059	3.5501	2.6229	4.7534	1.7913	5.1169	5.4189		1.7840
H12	3.2914	2.1877	4.6341	1.1059	3.5501	2.6229	4.7534	1.7913	5.4189	5.1169	1.7840

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	124.667	C1	C2	H6	118.656
C1	C3	H7	110.638	C1	C3	H9	111.039
C1	C3	H10	111.039	C2	C1	C3	124.667
C2	C1	H5	118.656	C2	C4	H8	110.638
C2	C4	H11	111.039	C2	C4	H12	111.039
C3	C1	H5	116.677	C4	C2	H6	116.677
H7	C3	H9	108.240	H7	C3	H10	108.240
H8	C4	H11	108.240	H8	C4	H12	108.240
H9	C3	H10	107.520	H11	C4	H12	107.520

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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