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	hartrees
Energy at 0K	-155.470379
Energy at 298.15K
HF Energy	-154.920806
Nuclear repulsion energy	99.535464

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.612
C2	0.000	0.000	-0.612
C3	0.000	0.000	2.077
C4	0.000	0.000	-2.077
H5	0.000	1.018	2.464
H6	-0.882	-0.509	2.464
H7	0.882	-0.509	2.464
H8	0.000	1.018	-2.464
H9	0.882	-0.509	-2.464
H10	-0.882	-0.509	-2.464

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.2236	1.4647	2.6883	2.1140	2.1140	2.1140	3.2403	3.2403	3.2403
C2	1.2236		2.6883	1.4647	3.2403	3.2403	3.2403	2.1140	2.1140	2.1140
C3	1.4647	2.6883		4.1530	1.0898	1.0898	1.0898	4.6536	4.6536	4.6536
C4	2.6883	1.4647	4.1530		4.6536	4.6536	4.6536	1.0898	1.0898	1.0898
H5	2.1140	3.2403	1.0898	4.6536		1.7640	1.7640	4.9287	5.2348	5.2348
H6	2.1140	3.2403	1.0898	4.6536	1.7640		1.7640	5.2348	5.2348	4.9287
H7	2.1140	3.2403	1.0898	4.6536	1.7640	1.7640		5.2348	4.9287	5.2348
H8	3.2403	2.1140	4.6536	1.0898	4.9287	5.2348	5.2348		1.7640	1.7640
H9	3.2403	2.1140	4.6536	1.0898	5.2348	5.2348	4.9287	1.7640		1.7640
H10	3.2403	2.1140	4.6536	1.0898	5.2348	4.9287	5.2348	1.7640	1.7640

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	180.000	C1	C3	H5	110.847
C1	C3	H6	110.847	C1	C3	H7	110.847
C2	C1	C3	180.000	C2	C4	H8	110.847
C2	C4	H9	110.847	C2	C4	H10	110.847
H5	C3	H6	108.061	H5	C3	H7	108.061
H6	C3	H7	108.061	H8	C4	H9	108.061
H8	C4	H10	108.061	H9	C4	H10	108.061

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

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 CH3CCCH3 (2-Butyne)

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

States and conformations

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