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	hartrees
Energy at 0K	-155.525544
Energy at 298.15K
HF Energy	-154.959960
Nuclear repulsion energy	99.882910

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3087	2926	0.00
2	A₁'	2304	2184	0.00
3	A₁'	1443	1368	0.00
4	A₁'	726	689	0.00
5	A₁"	9	8	0.00
6	A₂"	3088	2927	55.99
7	A₂"	1439	1364	3.69
8	A₂"	1189	1127	0.64
9	E'	3170	3005	20.44
9	E'	3170	3005	20.44
10	E'	1507	1428	13.36
10	E'	1507	1428	13.36
11	E'	1081	1025	0.36
11	E'	1081	1025	0.36
12	E'	179	170	12.20
12	E'	179	170	12.20
13	E"	3170	3005	0.00
13	E"	3170	3005	0.00
14	E"	1505	1427	0.00
14	E"	1505	1427	0.00
15	E"	1046	992	0.00
15	E"	1046	992	0.00
16	E"	81i	77i	0.00
16	E"	81i	77i	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.607
C2	0.000	0.000	-0.607
C3	0.000	0.000	2.066
C4	0.000	0.000	-2.066
H5	0.000	1.018	2.456
H6	-0.882	-0.509	2.456
H7	0.882	-0.509	2.456
H8	0.000	1.018	-2.456
H9	0.882	-0.509	-2.456
H10	-0.882	-0.509	-2.456

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.2139	1.4591	2.6729	2.1113	2.1113	2.1113	3.2282	3.2282	3.2282
C2	1.2139		2.6729	1.4591	3.2282	3.2282	3.2282	2.1113	2.1113	2.1113
C3	1.4591	2.6729		4.1320	1.0906	1.0906	1.0906	4.6357	4.6357	4.6357
C4	2.6729	1.4591	4.1320		4.6357	4.6357	4.6357	1.0906	1.0906	1.0906
H5	2.1113	3.2282	1.0906	4.6357		1.7637	1.7637	4.9129	5.2199	5.2199
H6	2.1113	3.2282	1.0906	4.6357	1.7637		1.7637	5.2199	5.2199	4.9129
H7	2.1113	3.2282	1.0906	4.6357	1.7637	1.7637		5.2199	4.9129	5.2199
H8	3.2282	2.1113	4.6357	1.0906	4.9129	5.2199	5.2199		1.7637	1.7637
H9	3.2282	2.1113	4.6357	1.0906	5.2199	5.2199	4.9129	1.7637		1.7637
H10	3.2282	2.1113	4.6357	1.0906	5.2199	4.9129	5.2199	1.7637	1.7637

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	180.000	C1	C3	H5	110.980
C1	C3	H6	110.980	C1	C3	H7	110.980
C2	C1	C3	180.000	C2	C4	H8	110.980
C2	C4	H9	110.980	C2	C4	H10	110.980
H5	C3	H6	107.921	H5	C3	H7	107.921
H6	C3	H7	107.921	H8	C4	H9	107.921
H8	C4	H10	107.921	H9	C4	H10	107.921

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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