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	hartrees
Energy at 0K	-155.619636
Energy at 298.15K	-155.623871
HF Energy	-154.963918
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3077	2922	0.00
2	A₁'	2291	2175	0.00
3	A₁'	1422	1350	0.00
4	A₁'	726	689	0.00
5	A₁"	17	16	0.00
6	A₂"	3078	2923	46.84
7	A₂"	1419	1347	3.05
8	A₂"	1189	1129	0.14
9	E'	3160	3000	13.99
9	E'	3160	3000	13.99
10	E'	1501	1425	13.58
10	E'	1501	1425	13.58
11	E'	1071	1017	1.09
11	E'	1071	1017	1.09
12	E'	199	189	10.73
12	E'	199	189	10.73
13	E"	3160	3001	0.00
13	E"	3160	3001	0.00
14	E"	1500	1424	0.00
14	E"	1500	1424	0.00
15	E"	1051	998	0.00
15	E"	1051	998	0.00
16	E"	353	335	0.00
16	E"	353	335	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.608
C2	0.000	0.000	-0.608
C3	0.000	0.000	2.067
C4	0.000	0.000	-2.067
H5	0.000	1.017	2.456
H6	-0.881	-0.509	2.456
H7	0.881	-0.509	2.456
H8	0.000	1.017	-2.456
H9	0.881	-0.509	-2.456
H10	-0.881	-0.509	-2.456

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.2156	1.4594	2.6750	2.1092	2.1092	2.1092	3.2278	3.2278	3.2278
C2	1.2156		2.6750	1.4594	3.2278	3.2278	3.2278	2.1092	2.1092	2.1092
C3	1.4594	2.6750		4.1344	1.0887	1.0887	1.0887	4.6357	4.6357	4.6357
C4	2.6750	1.4594	4.1344		4.6357	4.6357	4.6357	1.0887	1.0887	1.0887
H5	2.1092	3.2278	1.0887	4.6357		1.7617	1.7617	4.9111	5.2175	5.2175
H6	2.1092	3.2278	1.0887	4.6357	1.7617		1.7617	5.2175	5.2175	4.9111
H7	2.1092	3.2278	1.0887	4.6357	1.7617	1.7617		5.2175	4.9111	5.2175
H8	3.2278	2.1092	4.6357	1.0887	4.9111	5.2175	5.2175		1.7617	1.7617
H9	3.2278	2.1092	4.6357	1.0887	5.2175	5.2175	4.9111	1.7617		1.7617
H10	3.2278	2.1092	4.6357	1.0887	5.2175	4.9111	5.2175	1.7617	1.7617

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	180.000	C1	C3	H5	110.898
C1	C3	H6	110.898	C1	C3	H7	110.898
C2	C1	C3	180.000	C2	C4	H8	110.898
C2	C4	H9	110.898	C2	C4	H10	110.898
H5	C3	H6	108.008	H5	C3	H7	108.008
H6	C3	H7	108.008	H8	C4	H9	108.008
H8	C4	H10	108.008	H9	C4	H10	108.008

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

using model chemistry: MP2/cc-pVTZ

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-pVTZ

States and conformations

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