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	hartrees
Energy at 0K	-155.547023
Energy at 298.15K	-155.550881
HF Energy	-154.937139
Nuclear repulsion energy	99.672561

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3082	2919	0.00
2	A₁'	2297	2176	0.00
3	A₁'	1453	1376	0.00
4	A₁'	728	690	0.00
5	A₁"	19	18	0.00
6	A₂"	3083	2920	49.35
7	A₂"	1451	1374	0.61
8	A₂"	1199	1136	1.19
9	E'	3166	2999	21.22
9	E'	3166	2999	21.22
10	E'	1523	1443	16.93
10	E'	1523	1443	16.93
11	E'	1076	1019	2.63
11	E'	1076	1019	2.63
12	E'	196	186	11.73
12	E'	196	186	11.73
13	E"	3167	2999	0.00
13	E"	3167	2999	0.00
14	E"	1523	1442	0.00
14	E"	1523	1442	0.00
15	E"	1034	979	0.00
15	E"	1034	979	0.00
16	E"	210	199	0.00
16	E"	210	199	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.609
C2	0.000	0.000	-0.609
C3	0.000	0.000	2.071
C4	0.000	0.000	-2.071
H5	0.000	1.020	2.461
H6	-0.884	-0.510	2.461
H7	0.884	-0.510	2.461
H8	0.000	1.020	-2.461
H9	0.884	-0.510	-2.461
H10	-0.884	-0.510	-2.461

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.2182	1.4622	2.6804	2.1145	2.1145	2.1145	3.2354	3.2354	3.2354
C2	1.2182		2.6804	1.4622	3.2354	3.2354	3.2354	2.1145	2.1145	2.1145
C3	1.4622	2.6804		4.1425	1.0924	1.0924	1.0924	4.6459	4.6459	4.6459
C4	2.6804	1.4622	4.1425		4.6459	4.6459	4.6459	1.0924	1.0924	1.0924
H5	2.1145	3.2354	1.0924	4.6459		1.7674	1.7674	4.9223	5.2300	5.2300
H6	2.1145	3.2354	1.0924	4.6459	1.7674		1.7674	5.2300	5.2300	4.9223
H7	2.1145	3.2354	1.0924	4.6459	1.7674	1.7674		5.2300	4.9223	5.2300
H8	3.2354	2.1145	4.6459	1.0924	4.9223	5.2300	5.2300		1.7674	1.7674
H9	3.2354	2.1145	4.6459	1.0924	5.2300	5.2300	4.9223	1.7674		1.7674
H10	3.2354	2.1145	4.6459	1.0924	5.2300	4.9223	5.2300	1.7674	1.7674

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	180.000	C1	C3	H5	110.910
C1	C3	H6	110.910	C1	C3	H7	110.910
C2	C1	C3	180.000	C2	C4	H8	110.910
C2	C4	H9	110.910	C2	C4	H10	110.910
H5	C3	H6	107.995	H5	C3	H7	107.995
H6	C3	H7	107.995	H8	C4	H9	107.995
H8	C4	H10	107.995	H9	C4	H10	107.995

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

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

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