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	hartrees
Energy at 0K	-155.461693
Energy at 298.15K	-155.465691
HF Energy	-154.908166
Nuclear repulsion energy	99.762465

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3104	2912	0.00
2	A₁'	2446	2295	0.00
3	A₁'	1477	1386	0.00
4	A₁'	743	697	0.00
5	A₁"	5	5	0.00
6	A₂"	3104	2913	45.26
7	A₂"	1473	1382	2.93
8	A₂"	1202	1128	1.68
9	E'	3179	2983	23.99
9	E'	3179	2983	23.99
10	E'	1545	1449	12.92
10	E'	1545	1449	12.92
11	E'	1095	1027	2.34
11	E'	1095	1027	2.34
12	E'	202	190	9.36
12	E'	202	190	9.36
13	E"	3180	2984	0.00
13	E"	3180	2984	0.00
14	E"	1544	1449	0.00
14	E"	1544	1449	0.00
15	E"	1059	994	0.00
15	E"	1059	994	0.00
16	E"	262	246	0.00
16	E"	262	246	0.00

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	2.071
C4	0.000	0.000	-2.071
H5	0.000	1.023	2.460
H6	-0.886	-0.511	2.460
H7	0.886	-0.511	2.460
H8	0.000	1.023	-2.460
H9	0.886	-0.511	-2.460
H10	-0.886	-0.511	-2.460

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.2077	1.4674	2.6752	2.1190	2.1190	2.1190	3.2298	3.2298	3.2298
C2	1.2077		2.6752	1.4674	3.2298	3.2298	3.2298	2.1190	2.1190	2.1190
C3	1.4674	2.6752		4.1426	1.0939	1.0939	1.0939	4.6451	4.6451	4.6451
C4	2.6752	1.4674	4.1426		4.6451	4.6451	4.6451	1.0939	1.0939	1.0939
H5	2.1190	3.2298	1.0939	4.6451		1.7711	1.7711	4.9196	5.2287	5.2287
H6	2.1190	3.2298	1.0939	4.6451	1.7711		1.7711	5.2287	5.2287	4.9196
H7	2.1190	3.2298	1.0939	4.6451	1.7711	1.7711		5.2287	4.9196	5.2287
H8	3.2298	2.1190	4.6451	1.0939	4.9196	5.2287	5.2287		1.7711	1.7711
H9	3.2298	2.1190	4.6451	1.0939	5.2287	5.2287	4.9196	1.7711		1.7711
H10	3.2298	2.1190	4.6451	1.0939	5.2287	4.9196	5.2287	1.7711	1.7711

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	180.000	C1	C3	H5	110.804
C1	C3	H6	110.804	C1	C3	H7	110.804
C2	C1	C3	180.000	C2	C4	H8	110.804
C2	C4	H9	110.804	C2	C4	H10	110.804
H5	C3	H6	108.106	H5	C3	H7	108.106
H6	C3	H7	108.106	H8	C4	H9	108.106
H8	C4	H10	108.106	H9	C4	H10	108.106

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

using model chemistry: MP3=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: MP3=FULL/6-31G*

States and conformations

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