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	hartrees
Energy at 0K	-155.460558
Energy at 298.15K	-155.464747
HF Energy	-154.917693
Nuclear repulsion energy	98.858961

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3084	2938	0.00
2	A₁'	2283	2175	0.00
3	A₁'	1414	1347	0.00
4	A₁'	730	696	0.00
5	A₁"	18	17	0.00
6	A₂"	3085	2938	57.21
7	A₂"	1412	1345	8.78
8	A₂"	1198	1141	0.28
9	E'	3178	3027	17.56
9	E'	3178	3027	17.56
10	E'	1482	1412	12.73
10	E'	1482	1412	12.73
11	E'	1066	1016	2.12
11	E'	1066	1016	2.12
12	E'	197	187	9.42
12	E'	197	187	9.42
13	E"	3179	3028	0.00
13	E"	3179	3028	0.00
14	E"	1482	1411	0.00
14	E"	1482	1411	0.00
15	E"	1043	994	0.00
15	E"	1043	994	0.00
16	E"	338	322	0.00
16	E"	338	322	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	2.087
C4	0.000	0.000	-2.087
H5	0.000	1.029	2.481
H6	-0.891	-0.515	2.481
H7	0.891	-0.515	2.481
H8	0.000	1.029	-2.481
H9	0.891	-0.515	-2.481
H10	-0.891	-0.515	-2.481

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.2328	1.4704	2.7032	2.1301	2.1301	2.1301	3.2642	3.2642	3.2642
C2	1.2328		2.7032	1.4704	3.2642	3.2642	3.2642	2.1301	2.1301	2.1301
C3	1.4704	2.7032		4.1736	1.1022	1.1022	1.1022	4.6826	4.6826	4.6826
C4	2.7032	1.4704	4.1736		4.6826	4.6826	4.6826	1.1022	1.1022	1.1022
H5	2.1301	3.2642	1.1022	4.6826		1.7826	1.7826	4.9627	5.2731	5.2731
H6	2.1301	3.2642	1.1022	4.6826	1.7826		1.7826	5.2731	5.2731	4.9627
H7	2.1301	3.2642	1.1022	4.6826	1.7826	1.7826		5.2731	4.9627	5.2731
H8	3.2642	2.1301	4.6826	1.1022	4.9627	5.2731	5.2731		1.7826	1.7826
H9	3.2642	2.1301	4.6826	1.1022	5.2731	5.2731	4.9627	1.7826		1.7826
H10	3.2642	2.1301	4.6826	1.1022	5.2731	4.9627	5.2731	1.7826	1.7826

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	180.000	C1	C3	H5	110.973
C1	C3	H6	110.973	C1	C3	H7	110.973
C2	C1	C3	180.000	C2	C4	H8	110.973
C2	C4	H9	110.973	C2	C4	H10	110.973
H5	C3	H6	107.929	H5	C3	H7	107.929
H6	C3	H7	107.929	H8	C4	H9	107.929
H8	C4	H10	107.929	H9	C4	H10	107.929

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

using model chemistry: MP2/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/cc-pVDZ

States and conformations

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