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	hartrees
Energy at 0K	-155.415715
Energy at 298.15K	-155.419434
HF Energy	-154.906434
Nuclear repulsion energy	99.492583

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3102	2925	0.00
2	A₁'	2313	2181	0.00
3	A₁'	1474	1390	0.00
4	A₁'	734	692	0.00
5	A₁"	14	14	0.00
6	A₂"	3103	2926	46.23
7	A₂"	1469	1385	4.65
8	A₂"	1204	1136	1.94
9	E'	3187	3005	21.30
9	E'	3187	3005	21.30
10	E'	1547	1459	12.14
10	E'	1547	1459	12.14
11	E'	1094	1032	3.07
11	E'	1094	1032	3.07
12	E'	194	183	9.00
12	E'	194	183	9.00
13	E"	3187	3006	0.00
13	E"	3187	3006	0.00
14	E"	1547	1458	0.00
14	E"	1547	1458	0.00
15	E"	1055	995	0.00
15	E"	1055	995	0.00
16	E"	168	158	0.00
16	E"	168	158	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.611
C2	0.000	0.000	-0.611
C3	0.000	0.000	2.076
C4	0.000	0.000	-2.076
H5	0.000	1.022	2.466
H6	-0.885	-0.511	2.466
H7	0.885	-0.511	2.466
H8	0.000	1.022	-2.466
H9	0.885	-0.511	-2.466
H10	-0.885	-0.511	-2.466

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.2214	1.4653	2.6866	2.1179	2.1179	2.1179	3.2417	3.2417	3.2417
C2	1.2214		2.6866	1.4653	3.2417	3.2417	3.2417	2.1179	2.1179	2.1179
C3	1.4653	2.6866		4.1519	1.0937	1.0937	1.0937	4.6553	4.6553	4.6553
C4	2.6866	1.4653	4.1519		4.6553	4.6553	4.6553	1.0937	1.0937	1.0937
H5	2.1179	3.2417	1.0937	4.6553		1.7700	1.7700	4.9316	5.2396	5.2396
H6	2.1179	3.2417	1.0937	4.6553	1.7700		1.7700	5.2396	5.2396	4.9316
H7	2.1179	3.2417	1.0937	4.6553	1.7700	1.7700		5.2396	4.9316	5.2396
H8	3.2417	2.1179	4.6553	1.0937	4.9316	5.2396	5.2396		1.7700	1.7700
H9	3.2417	2.1179	4.6553	1.0937	5.2396	5.2396	4.9316	1.7700		1.7700
H10	3.2417	2.1179	4.6553	1.0937	5.2396	4.9316	5.2396	1.7700	1.7700

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	180.000	C1	C3	H5	110.881
C1	C3	H6	110.881	C1	C3	H7	110.881
C2	C1	C3	180.000	C2	C4	H8	110.881
C2	C4	H9	110.881	C2	C4	H10	110.881
H5	C3	H6	108.025	H5	C3	H7	108.025
H6	C3	H7	108.025	H8	C4	H9	108.025
H8	C4	H10	108.025	H9	C4	H10	108.025

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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