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	hartrees
Energy at 0K	-156.731276
Energy at 298.15K
HF Energy	-156.120496
Nuclear repulsion energy	117.560602

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.673	0.643
C2	0.000	-0.673	0.643
C3	0.000	1.645	-0.509
C4	0.000	-1.645	-0.509
H5	0.000	1.153	1.613
H6	0.000	-1.153	1.613
H7	0.000	1.174	-1.483
H8	0.000	-1.174	-1.483
H9	-0.874	2.296	-0.465
H10	0.874	2.296	-0.465
H11	0.874	-2.296	-0.465
H12	-0.874	-2.296	-0.465

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3451	1.5074	2.5880	1.0831	2.0674	2.1841	2.8158	2.1509	2.1509	3.2867	3.2867
C2	1.3451		2.5880	1.5074	2.0674	1.0831	2.8158	2.1841	3.2867	3.2867	2.1509	2.1509
C3	1.5074	2.5880		3.2899	2.1791	3.5118	1.0818	2.9825	1.0908	1.0908	4.0368	4.0368
C4	2.5880	1.5074	3.2899		3.5118	2.1791	2.9825	1.0818	4.0368	4.0368	1.0908	1.0908
H5	1.0831	2.0674	2.1791	3.5118		2.3054	3.0968	3.8734	2.5282	2.5282	4.1203	4.1203
H6	2.0674	1.0831	3.5118	2.1791	2.3054		3.8734	3.0968	4.1203	4.1203	2.5282	2.5282
H7	2.1841	2.8158	1.0818	2.9825	3.0968	3.8734		2.3480	1.7491	1.7491	3.7203	3.7203
H8	2.8158	2.1841	2.9825	1.0818	3.8734	3.0968	2.3480		3.7203	3.7203	1.7491	1.7491
H9	2.1509	3.2867	1.0908	4.0368	2.5282	4.1203	1.7491	3.7203		1.7486	4.9133	4.5916
H10	2.1509	3.2867	1.0908	4.0368	2.5282	4.1203	1.7491	3.7203	1.7486		4.5916	4.9133
H11	3.2867	2.1509	4.0368	1.0908	4.1203	2.5282	3.7203	1.7491	4.9133	4.5916		1.7486
H12	3.2867	2.1509	4.0368	1.0908	4.1203	2.5282	3.7203	1.7491	4.5916	4.9133	1.7486

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	130.171	C1	C2	H6	116.314
C1	C3	H7	114.024	C1	C3	H9	110.732
C1	C3	H10	110.732	C2	C1	C3	130.171
C2	C1	H5	116.314	C2	C4	H8	114.024
C2	C4	H11	110.732	C2	C4	H12	110.732
C3	C1	H5	113.515	C4	C2	H6	113.515
H7	C3	H9	107.226	H7	C3	H10	107.226
H8	C4	H11	107.226	H8	C4	H12	107.226
H9	C3	H10	106.541	H11	C4	H12	106.541

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

using model chemistry: MP3/6-31+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, (Z)-)

using model chemistry: MP3/6-31+G**

States and conformations

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