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	hartrees
Energy at 0K	-155.470883
Energy at 298.15K	-155.475088
HF Energy	-154.917954
Nuclear repulsion energy	98.955579

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3090	2936	0.00
2	A₁'	2288	2174	0.00
3	A₁'	1416	1346	0.00
4	A₁'	732	696	0.00
5	A₁"	18	17	0.00
6	A₂"	3090	2937	56.83
7	A₂"	1414	1344	8.33
8	A₂"	1201	1142	0.22
9	E'	3185	3027	17.13
9	E'	3185	3027	17.13
10	E'	1484	1411	12.92
10	E'	1484	1411	12.92
11	E'	1067	1015	2.21
11	E'	1067	1015	2.21
12	E'	198	188	9.43
12	E'	198	188	9.43
13	E"	3186	3028	0.00
13	E"	3186	3028	0.00
14	E"	1484	1410	0.00
14	E"	1484	1410	0.00
15	E"	1045	993	0.00
15	E"	1045	993	0.00
16	E"	343	326	0.00
16	E"	343	326	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.616
C2	0.000	0.000	-0.616
C3	0.000	0.000	2.085
C4	0.000	0.000	-2.085
H5	0.000	1.028	2.479
H6	-0.890	-0.514	2.479
H7	0.890	-0.514	2.479
H8	0.000	1.028	-2.479
H9	0.890	-0.514	-2.479
H10	-0.890	-0.514	-2.479

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.2317	1.4688	2.7006	2.1281	2.1281	2.1281	3.2612	3.2612	3.2612
C2	1.2317		2.7006	1.4688	3.2612	3.2612	3.2612	2.1281	2.1281	2.1281
C3	1.4688	2.7006		4.1694	1.1012	1.1012	1.1012	4.6782	4.6782	4.6782
C4	2.7006	1.4688	4.1694		4.6782	4.6782	4.6782	1.1012	1.1012	1.1012
H5	2.1281	3.2612	1.1012	4.6782		1.7807	1.7807	4.9582	5.2683	5.2683
H6	2.1281	3.2612	1.1012	4.6782	1.7807		1.7807	5.2683	5.2683	4.9582
H7	2.1281	3.2612	1.1012	4.6782	1.7807	1.7807		5.2683	4.9582	5.2683
H8	3.2612	2.1281	4.6782	1.1012	4.9582	5.2683	5.2683		1.7807	1.7807
H9	3.2612	2.1281	4.6782	1.1012	5.2683	5.2683	4.9582	1.7807		1.7807
H10	3.2612	2.1281	4.6782	1.1012	5.2683	4.9582	5.2683	1.7807	1.7807

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	180.000	C1	C3	H5	110.988
C1	C3	H6	110.988	C1	C3	H7	110.988
C2	C1	C3	180.000	C2	C4	H8	110.988
C2	C4	H9	110.988	C2	C4	H10	110.988
H5	C3	H6	107.913	H5	C3	H7	107.913
H6	C3	H7	107.912	H8	C4	H9	107.913
H8	C4	H10	107.913	H9	C4	H10	107.912

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

using model chemistry: MP2=FULL/cc-pVDZ

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=FULL/cc-pVDZ

States and conformations

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