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	hartrees
Energy at 0K	-155.491287
Energy at 298.15K	-155.495145
HF Energy	-154.921028
Nuclear repulsion energy	99.649611

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3121	2932	0.00
2	A₁'	2305	2164	0.00
3	A₁'	1462	1373	0.00
4	A₁'	731	686	0.00
5	A₁"	12	12	0.00
6	A₂"	3122	2932	60.68
7	A₂"	1458	1370	3.81
8	A₂"	1197	1124	1.05
9	E'	3213	3018	19.30
9	E'	3213	3018	19.30
10	E'	1531	1438	12.60
10	E'	1531	1438	12.60
11	E'	1093	1026	0.69
11	E'	1093	1026	0.69
12	E'	190	179	13.48
12	E'	190	179	13.48
13	E"	3213	3018	0.00
13	E"	3213	3018	0.00
14	E"	1530	1437	0.00
14	E"	1530	1437	0.00
15	E"	1059	995	0.00
15	E"	1059	995	0.00
16	E"	216	203	0.00
16	E"	216	203	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.611
C2	0.000	0.000	-0.611
C3	0.000	0.000	2.074
C4	0.000	0.000	-2.074
H5	0.000	1.017	2.461
H6	-0.881	-0.509	2.461
H7	0.881	-0.509	2.461
H8	0.000	1.017	-2.461
H9	0.881	-0.509	-2.461
H10	-0.881	-0.509	-2.461

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.2221	1.4631	2.6852	2.1116	2.1116	2.1116	3.2366	3.2366	3.2366
C2	1.2221		2.6852	1.4631	3.2366	3.2366	3.2366	2.1116	2.1116	2.1116
C3	1.4631	2.6852		4.1482	1.0886	1.0886	1.0886	4.6483	4.6483	4.6483
C4	2.6852	1.4631	4.1482		4.6483	4.6483	4.6483	1.0886	1.0886	1.0886
H5	2.1116	3.2366	1.0886	4.6483		1.7620	1.7620	4.9230	5.2288	5.2288
H6	2.1116	3.2366	1.0886	4.6483	1.7620		1.7621	5.2288	5.2288	4.9230
H7	2.1116	3.2366	1.0886	4.6483	1.7620	1.7621		5.2288	4.9230	5.2288
H8	3.2366	2.1116	4.6483	1.0886	4.9230	5.2288	5.2288		1.7620	1.7620
H9	3.2366	2.1116	4.6483	1.0886	5.2288	5.2288	4.9230	1.7620		1.7621
H10	3.2366	2.1116	4.6483	1.0886	5.2288	4.9230	5.2288	1.7620	1.7621

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	180.000	C1	C3	H5	110.846
C1	C3	H6	110.846	C1	C3	H7	110.846
C2	C1	C3	180.000	C2	C4	H8	110.846
C2	C4	H9	110.846	C2	C4	H10	110.846
H5	C3	H6	108.062	H5	C3	H7	108.062
H6	C3	H7	108.062	H8	C4	H9	108.062
H8	C4	H10	108.062	H9	C4	H10	108.062

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

using model chemistry: MP2=FULL/6-31+G**

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/6-31+G**

States and conformations

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