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	hartrees
Energy at 0K	-154.963320
Energy at 298.15K	-154.967925
Nuclear repulsion energy	100.594849

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3171	2881	0.00
2	A₁'	2532	2301	0.00
3	A₁'	1540	1399	0.00
4	A₁'	748	680	0.00
5	A₁"	19	17	0.00
6	A₂"	3171	2881	65.39
7	A₂"	1535	1395	8.00
8	A₂"	1205	1094	2.24
9	E'	3230	2935	31.60
9	E'	3230	2935	31.60
10	E'	1600	1454	15.26
10	E'	1600	1454	15.26
11	E'	1156	1050	0.00
11	E'	1156	1050	0.00
12	E'	221	201	13.08
12	E'	221	201	13.08
13	E"	3231	2936	0.00
13	E"	3231	2936	0.00
14	E"	1600	1454	0.00
14	E"	1600	1454	0.00
15	E"	1148	1043	0.00
15	E"	1148	1043	0.00
16	E"	474	431	0.00
16	E"	474	431	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.591
C2	0.000	0.000	-0.591
C3	0.000	0.000	2.057
C4	0.000	0.000	-2.057
H5	0.000	1.013	2.439
H6	-0.877	-0.506	2.439
H7	0.877	-0.506	2.439
H8	0.000	1.013	-2.439
H9	0.877	-0.506	-2.439
H10	-0.877	-0.506	-2.439

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.1825	1.4661	2.6486	2.1074	2.1074	2.1074	3.1953	3.1953	3.1953
C2	1.1825		2.6486	1.4661	3.1953	3.1953	3.1953	2.1074	2.1074	2.1074
C3	1.4661	2.6486		4.1147	1.0824	1.0824	1.0824	4.6093	4.6093	4.6093
C4	2.6486	1.4661	4.1147		4.6093	4.6093	4.6093	1.0824	1.0824	1.0824
H5	2.1074	3.1953	1.0824	4.6093		1.7543	1.7543	4.8786	5.1844	5.1844
H6	2.1074	3.1953	1.0824	4.6093	1.7543		1.7543	5.1844	5.1844	4.8786
H7	2.1074	3.1953	1.0824	4.6093	1.7543	1.7543		5.1844	4.8786	5.1844
H8	3.1953	2.1074	4.6093	1.0824	4.8786	5.1844	5.1844		1.7543	1.7543
H9	3.1953	2.1074	4.6093	1.0824	5.1844	5.1844	4.8786	1.7543		1.7543
H10	3.1953	2.1074	4.6093	1.0824	5.1844	4.8786	5.1844	1.7543	1.7543

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	180.000	C1	C3	H5	110.661
C1	C3	H6	110.661	C1	C3	H7	110.661
C2	C1	C3	180.000	C2	C4	H8	110.661
C2	C4	H9	110.661	C2	C4	H10	110.661
H5	C3	H6	108.256	H5	C3	H7	108.256
H6	C3	H7	108.256	H8	C4	H9	108.256
H8	C4	H10	108.256	H9	C4	H10	108.256

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

using model chemistry: HF/6-311+G(3df,2p)

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: HF/6-311+G(3df,2p)

States and conformations

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