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	hartrees
Energy at 0K	-155.492843
Energy at 298.15K
HF Energy	-154.918069
Nuclear repulsion energy	99.833540

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.604
C2	0.000	0.000	-0.604
C3	0.000	0.000	2.073
C4	0.000	0.000	-2.073
H5	0.000	1.018	2.459
H6	-0.881	-0.509	2.459
H7	0.881	-0.509	2.459
H8	0.000	1.018	-2.459
H9	0.881	-0.509	-2.459
H10	-0.881	-0.509	-2.459

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.2089	1.4681	2.6770	2.1155	2.1155	2.1155	3.2282	3.2282	3.2282
C2	1.2089		2.6770	1.4681	3.2282	3.2282	3.2282	2.1155	2.1155	2.1155
C3	1.4681	2.6770		4.1451	1.0885	1.0885	1.0885	4.6445	4.6445	4.6445
C4	2.6770	1.4681	4.1451		4.6445	4.6445	4.6445	1.0885	1.0885	1.0885
H5	2.1155	3.2282	1.0885	4.6445		1.7624	1.7624	4.9183	5.2246	5.2246
H6	2.1155	3.2282	1.0885	4.6445	1.7624		1.7624	5.2246	5.2246	4.9183
H7	2.1155	3.2282	1.0885	4.6445	1.7624	1.7624		5.2246	4.9183	5.2246
H8	3.2282	2.1155	4.6445	1.0885	4.9183	5.2246	5.2246		1.7624	1.7624
H9	3.2282	2.1155	4.6445	1.0885	5.2246	5.2246	4.9183	1.7624		1.7624
H10	3.2282	2.1155	4.6445	1.0885	5.2246	4.9183	5.2246	1.7624	1.7624

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	180.000	C1	C3	H5	110.806
C1	C3	H6	110.806	C1	C3	H7	110.806
C2	C1	C3	180.000	C2	C4	H8	110.806
C2	C4	H9	110.806	C2	C4	H10	110.806
H5	C3	H6	108.104	H5	C3	H7	108.104
H6	C3	H7	108.104	H8	C4	H9	108.104
H8	C4	H10	108.104	H9	C4	H10	108.104

All results from a given calculation for CH₃CCCH₃ (2-Butyne)

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 CH3CCCH3 (2-Butyne)

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

States and conformations

All results from a given calculation for CH₃CCCH₃ (2-Butyne)