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	hartrees
Energy at 0K	-155.483738
Energy at 298.15K	-155.487750
HF Energy	-154.916618
Nuclear repulsion energy	99.766773

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3128	2923	0.00
2	A₁'	2322	2169	0.00
3	A₁'	1471	1374	0.00
4	A₁'	736	688	0.00
5	A₁"	20	18	0.00
6	A₂"	3129	2924	52.77
7	A₂"	1466	1370	8.09
8	A₂"	1207	1128	1.37
9	E'	3220	3008	23.62
9	E'	3220	3008	23.62
10	E'	1546	1445	9.68
10	E'	1546	1445	9.68
11	E'	1098	1026	1.99
11	E'	1098	1026	1.99
12	E'	198	185	8.41
12	E'	198	185	8.41
13	E"	3220	3009	0.00
13	E"	3220	3009	0.00
14	E"	1545	1444	0.00
14	E"	1545	1444	0.00
15	E"	1066	996	0.00
15	E"	1066	996	0.00
16	E"	256	239	0.00
16	E"	256	239	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.610
C2	0.000	0.000	-0.610
C3	0.000	0.000	2.071
C4	0.000	0.000	-2.071
H5	0.000	1.016	2.461
H6	-0.880	-0.508	2.461
H7	0.880	-0.508	2.461
H8	0.000	1.016	-2.461
H9	0.880	-0.508	-2.461
H10	-0.880	-0.508	-2.461

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.2197	1.4608	2.6805	2.1115	2.1115	2.1115	3.2344	3.2344	3.2344
C2	1.2197		2.6805	1.4608	3.2344	3.2344	3.2344	2.1115	2.1115	2.1115
C3	1.4608	2.6805		4.1413	1.0884	1.0884	1.0884	4.6440	4.6440	4.6440
C4	2.6805	1.4608	4.1413		4.6440	4.6440	4.6440	1.0884	1.0884	1.0884
H5	2.1115	3.2344	1.0884	4.6440		1.7598	1.7598	4.9217	5.2268	5.2268
H6	2.1115	3.2344	1.0884	4.6440	1.7598		1.7598	5.2268	5.2268	4.9217
H7	2.1115	3.2344	1.0884	4.6440	1.7598	1.7598		5.2268	4.9217	5.2268
H8	3.2344	2.1115	4.6440	1.0884	4.9217	5.2268	5.2268		1.7598	1.7598
H9	3.2344	2.1115	4.6440	1.0884	5.2268	5.2268	4.9217	1.7598		1.7598
H10	3.2344	2.1115	4.6440	1.0884	5.2268	4.9217	5.2268	1.7598	1.7598

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	180.000	C1	C3	H5	111.007
C1	C3	H6	111.007	C1	C3	H7	111.007
C2	C1	C3	180.000	C2	C4	H8	111.007
C2	C4	H9	111.007	C2	C4	H10	111.007
H5	C3	H6	107.893	H5	C3	H7	107.893
H6	C3	H7	107.893	H8	C4	H9	107.893
H8	C4	H10	107.893	H9	C4	H10	107.893

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

using model chemistry: MP2=FULL/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 CH3CCCH3 (2-Butyne)

using model chemistry: MP2=FULL/6-31G**

States and conformations

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