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	hartrees
Energy at 0K	-156.676700
Energy at 298.15K	-156.684412
HF Energy	-156.109056
Nuclear repulsion energy	115.430519

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3154	3003	0.00
2	A	3137	2987	0.00
3	A	3054	2908	0.00
4	A	1783	1698	0.00
5	A	1544	1470	0.00
6	A	1469	1399	0.00
7	A	1361	1296	0.00
8	A	1199	1142	0.00
9	A	901	858	0.00
10	A	508	483	0.00
11	A	3114	2965	55.13
12	A	1531	1458	11.06
13	A	1101	1049	0.75
14	A	1005	957	29.36
15	A	247	235	3.00
16	A	167	159	0.71
17	A	3114	2966	0.00
18	A	1531	1458	0.00
19	A	1090	1038	0.00
20	A	751	715	0.00
21	A	214	203	0.00
22	A	3159	3008	75.65
23	A	3135	2985	18.51
24	A	3053	2908	60.21
25	A	1549	1475	13.56
26	A	1468	1398	4.04
27	A	1368	1303	3.00
28	A	1112	1059	0.84
29	A	1015	967	10.12
30	A	286	273	0.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.670	0.000
C2	0.000	-0.670	0.000
C3	-1.235	1.528	0.000
C4	1.235	-1.528	0.000
H5	0.957	1.199	0.000
H6	-0.957	-1.199	0.000
H7	-2.143	0.913	0.000
H8	2.143	-0.913	0.000
H9	-1.266	2.181	0.884
H10	-1.266	2.181	-0.884
H11	1.266	-2.181	0.884
H12	1.266	-2.181	-0.884

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3397	1.5044	2.5216	1.0936	2.0994	2.1569	2.6642	2.1600	2.1600	3.2418	3.2418
C2	1.3397		2.5216	1.5044	2.0994	1.0936	2.6642	2.1569	3.2418	3.2418	2.1600	2.1600
C3	1.5044	2.5216		3.9305	2.2173	2.7411	1.0968	4.1682	1.0988	1.0988	4.5601	4.5601
C4	2.5216	1.5044	3.9305		2.7411	2.2173	4.1682	1.0968	4.5601	4.5601	1.0988	1.0988
H5	1.0936	2.0994	2.2173	2.7411		3.0679	3.1136	2.4216	2.5860	2.5860	3.5066	3.5066
H6	2.0994	1.0936	2.7411	2.2173	3.0679		2.4216	3.1136	3.5066	3.5066	2.5860	2.5860
H7	2.1569	2.6642	1.0968	4.1682	3.1136	2.4216		4.6590	1.7772	1.7772	4.6874	4.6874
H8	2.6642	2.1569	4.1682	1.0968	2.4216	3.1136	4.6590		4.6874	4.6874	1.7772	1.7772
H9	2.1600	3.2418	1.0988	4.5601	2.5860	3.5066	1.7772	4.6874		1.7671	5.0430	5.3437
H10	2.1600	3.2418	1.0988	4.5601	2.5860	3.5066	1.7772	4.6874	1.7671		5.3437	5.0430
H11	3.2418	2.1600	4.5601	1.0988	3.5066	2.5860	4.6874	1.7772	5.0430	5.3437		1.7671
H12	3.2418	2.1600	4.5601	1.0988	3.5066	2.5860	4.6874	1.7772	5.3437	5.0430	1.7671

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	124.797	C1	C2	H6	118.913
C1	C3	H7	111.062	C1	C3	H9	111.193
C1	C3	H10	111.193	C2	C1	C3	124.797
C2	C1	H5	118.913	C2	C4	H8	111.062
C2	C4	H11	111.193	C2	C4	H12	111.193
C3	C1	H5	116.290	C4	C2	H6	116.290
H7	C3	H9	108.085	H7	C3	H10	108.085
H8	C4	H11	108.085	H8	C4	H12	108.085
H9	C3	H10	107.056	H11	C4	H12	107.056

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)-)