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	hartrees
Energy at 0K	-156.697987
Energy at 298.15K
HF Energy	-156.126244
Nuclear repulsion energy	115.796895

Atom	x (Å)	y (Å)	z (Å)
C1	0.329	0.585	0.000
C2	-0.329	-0.585	0.000
C3	-0.329	1.932	0.000
C4	0.329	-1.932	0.000
H5	1.416	0.571	0.000
H6	-1.416	-0.571	0.000
H7	-1.415	1.835	0.000
H8	1.415	-1.835	0.000
H9	-0.039	2.512	0.878
H10	-0.039	2.512	-0.878
H11	0.039	-2.512	0.878
H12	0.039	-2.512	-0.878

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3428	1.4993	2.5176	1.0875	2.0936	2.1453	2.6525	2.1492	2.1492	3.2323	3.2323
C2	1.3428		2.5176	1.4993	2.0936	1.0875	2.6525	2.1453	3.2323	3.2323	2.1492	2.1492
C3	1.4993	2.5176		3.9204	2.2137	2.7292	1.0901	4.1512	1.0916	1.0916	4.5451	4.5451
C4	2.5176	1.4993	3.9204		2.7292	2.2137	4.1512	1.0901	4.5451	4.5451	1.0916	1.0916
H5	1.0875	2.0936	2.2137	2.7292		3.0542	3.1005	2.4057	2.5801	2.5801	3.4889	3.4889
H6	2.0936	1.0875	2.7292	2.2137	3.0542		2.4057	3.1005	3.4889	3.4889	2.5801	2.5801
H7	2.1453	2.6525	1.0901	4.1512	3.1005	2.4057		4.6339	1.7671	1.7671	4.6668	4.6668
H8	2.6525	2.1453	4.1512	1.0901	2.4057	3.1005	4.6339		4.6668	4.6668	1.7671	1.7671
H9	2.1492	3.2323	1.0916	4.5451	2.5801	3.4889	1.7671	4.6668		1.7568	5.0244	5.3226
H10	2.1492	3.2323	1.0916	4.5451	2.5801	3.4889	1.7671	4.6668	1.7568		5.3226	5.0244
H11	3.2323	2.1492	4.5451	1.0916	3.4889	2.5801	4.6668	1.7671	5.0244	5.3226		1.7568
H12	3.2323	2.1492	4.5451	1.0916	3.4889	2.5801	4.6668	1.7671	5.3226	5.0244	1.7568

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	124.619	C1	C2	H6	118.589
C1	C3	H7	110.903	C1	C3	H9	111.122
C1	C3	H10	111.122	C2	C1	C3	124.619
C2	C1	H5	118.589	C2	C4	H8	110.903
C2	C4	H11	111.122	C2	C4	H12	111.122
C3	C1	H5	116.793	C4	C2	H6	116.793
H7	C3	H9	108.191	H7	C3	H10	108.191
H8	C4	H11	108.191	H8	C4	H12	108.191
H9	C3	H10	107.162	H11	C4	H12	107.162

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

using model chemistry: MP2/6-31+G**

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: MP2/6-31+G**

States and conformations

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