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	hartrees
Energy at 0K	-156.741997
Energy at 298.15K	-156.749727
HF Energy	-156.122829
Nuclear repulsion energy	115.702134

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3202	3014	0.00
2	A	3184	2998	0.00
3	A	3094	2913	0.00
4	A	1789	1684	0.00
5	A	1552	1461	0.00
6	A	1472	1386	0.00
7	A	1364	1284	0.00
8	A	1202	1132	0.00
9	A	901	848	0.00
10	A	506	477	0.00
11	A	3160	2975	59.59
12	A	1539	1449	7.98
13	A	1103	1039	1.64
14	A	1014	955	25.24
15	A	246	232	2.55
16	A	168	158	0.68
17	A	3160	2975	0.00
18	A	1539	1449	0.00
19	A	1090	1026	0.00
20	A	751	707	0.00
21	A	214	201	0.00
22	A	3207	3019	77.69
23	A	3182	2996	20.65
24	A	3093	2912	64.53
25	A	1558	1467	10.46
26	A	1471	1385	3.15
27	A	1370	1290	4.93
28	A	1113	1048	1.00
29	A	1015	956	8.01
30	A	285	268	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.669	0.000
C2	0.000	-0.669	0.000
C3	-1.236	1.525	0.000
C4	1.236	-1.525	0.000
H5	0.952	1.195	0.000
H6	-0.952	-1.195	0.000
H7	-2.137	0.911	0.000
H8	2.137	-0.911	0.000
H9	-1.267	2.173	0.879
H10	-1.267	2.173	-0.879
H11	1.267	-2.173	0.879
H12	1.267	-2.173	-0.879

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3388	1.5033	2.5186	1.0874	2.0931	2.1507	2.6578	2.1538	2.1538	3.2339	3.2339
C2	1.3388		2.5186	1.5033	2.0931	1.0874	2.6578	2.1507	3.2339	3.2339	2.1538	2.1538
C3	1.5033	2.5186		3.9261	2.2129	2.7345	1.0906	4.1606	1.0926	1.0926	4.5513	4.5513
C4	2.5186	1.5033	3.9261		2.7345	2.2129	4.1606	1.0906	4.5513	4.5513	1.0926	1.0926
H5	1.0874	2.0931	2.2129	2.7345		3.0553	3.1023	2.4159	2.5795	2.5795	3.4949	3.4949
H6	2.0931	1.0874	2.7345	2.2129	3.0553		2.4159	3.1023	3.4949	3.4949	2.5795	2.5795
H7	2.1507	2.6578	1.0906	4.1606	3.1023	2.4159		4.6461	1.7676	1.7676	4.6765	4.6765
H8	2.6578	2.1507	4.1606	1.0906	2.4159	3.1023	4.6461		4.6765	4.6765	1.7676	1.7676
H9	2.1538	3.2339	1.0926	4.5513	2.5795	3.4949	1.7676	4.6765		1.7579	5.0310	5.3293
H10	2.1538	3.2339	1.0926	4.5513	2.5795	3.4949	1.7676	4.6765	1.7579		5.3293	5.0310
H11	3.2339	2.1538	4.5513	1.0926	3.4949	2.5795	4.6765	1.7676	5.0310	5.3293		1.7579
H12	3.2339	2.1538	4.5513	1.0926	3.4949	2.5795	4.6765	1.7676	5.3293	5.0310	1.7579

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	124.692	C1	C2	H6	118.883
C1	C3	H7	111.021	C1	C3	H9	111.149
C1	C3	H10	111.149	C2	C1	C3	124.692
C2	C1	H5	118.883	C2	C4	H8	111.021
C2	C4	H11	111.149	C2	C4	H12	111.149
C3	C1	H5	116.424	C4	C2	H6	116.424
H7	C3	H9	108.121	H7	C3	H10	108.121
H8	C4	H11	108.121	H8	C4	H12	108.121
H9	C3	H10	107.120	H11	C4	H12	107.120

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

using model chemistry: QCISD/6-31G**

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: QCISD/6-31G**

States and conformations

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