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	hartrees
Energy at 0K	-155.448459
Energy at 298.15K	-155.452397
HF Energy	-154.907541
Nuclear repulsion energy	99.509747

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3076	2912	0.00
2	A₁'	2402	2274	0.00
3	A₁'	1471	1392	0.00
4	A₁'	736	697	0.00
5	A₁"	13	13	0.00
6	A₂"	3077	2912	49.28
7	A₂"	1467	1388	3.41
8	A₂"	1195	1131	2.32
9	E'	3152	2984	26.76
9	E'	3152	2984	26.76
10	E'	1537	1455	12.06
10	E'	1537	1455	12.06
11	E'	1090	1032	2.11
11	E'	1090	1032	2.11
12	E'	198	187	8.97
12	E'	198	187	8.97
13	E"	3152	2984	0.00
13	E"	3152	2984	0.00
14	E"	1536	1454	0.00
14	E"	1536	1454	0.00
15	E"	1056	999	0.00
15	E"	1056	999	0.00
16	E"	241	228	0.00
16	E"	241	228	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.605
C2	0.000	0.000	-0.605
C3	0.000	0.000	2.075
C4	0.000	0.000	-2.075
H5	0.000	1.024	2.466
H6	-0.887	-0.512	2.466
H7	0.887	-0.512	2.466
H8	0.000	1.024	-2.466
H9	0.887	-0.512	-2.466
H10	-0.887	-0.512	-2.466

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.2109	1.4695	2.6804	2.1238	2.1238	2.1238	3.2377	3.2377	3.2377
C2	1.2109		2.6804	1.4695	3.2377	3.2377	3.2377	2.1238	2.1238	2.1238
C3	1.4695	2.6804		4.1499	1.0961	1.0961	1.0961	4.6550	4.6550	4.6550
C4	2.6804	1.4695	4.1499		4.6550	4.6550	4.6550	1.0961	1.0961	1.0961
H5	2.1238	3.2377	1.0961	4.6550		1.7736	1.7736	4.9321	5.2413	5.2413
H6	2.1238	3.2377	1.0961	4.6550	1.7736		1.7736	5.2413	5.2413	4.9321
H7	2.1238	3.2377	1.0961	4.6550	1.7736	1.7736		5.2413	4.9321	5.2413
H8	3.2377	2.1238	4.6550	1.0961	4.9321	5.2413	5.2413		1.7736	1.7736
H9	3.2377	2.1238	4.6550	1.0961	5.2413	5.2413	4.9321	1.7736		1.7736
H10	3.2377	2.1238	4.6550	1.0961	5.2413	4.9321	5.2413	1.7736	1.7736

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	180.000	C1	C3	H5	110.903
C1	C3	H6	110.903	C1	C3	H7	110.903
C2	C1	C3	180.000	C2	C4	H8	110.903
C2	C4	H9	110.903	C2	C4	H10	110.903
H5	C3	H6	108.002	H5	C3	H7	108.002
H6	C3	H7	108.002	H8	C4	H9	108.002
H8	C4	H10	108.002	H9	C4	H10	108.002

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

using model chemistry: CCD/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: CCD/6-31G*

States and conformations

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