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	hartrees
Energy at 0K	-155.520439
Energy at 298.15K
HF Energy	-154.922553
Nuclear repulsion energy	99.842971

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3217	2997	0.00
2	A	3217	2997	0.00
3	A	3217	2997	23.49
4	A	3217	2997	23.48
5	A	3136	2921	58.67
6	A	3136	2921	0.00
7	A	2429	2263	0.00
8	A	1539	1434	12.03
9	A	1539	1434	12.04
10	A	1538	1433	0.00
11	A	1538	1433	0.00
12	A	1475	1374	0.00
13	A	1472	1371	3.89
14	A	1194	1113	1.07
15	A	1099	1023	0.25
16	A	1099	1023	0.25
17	A	1067	994	0.00
18	A	1067	994	0.00
19	A	739	688	0.00
20	A	267	249	0.00
21	A	267	249	0.00
22	A	196	182	13.56
23	A	196	182	13.56
24	A	7i	6i	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.605	0.000	0.000
C2	0.605	0.000	0.000
C3	-2.073	0.000	0.000
C4	2.073	0.000	0.000
H5	-2.457	-0.748	-0.689
H6	-2.457	-0.223	0.993
H7	-2.457	0.971	-0.303
H8	2.457	-0.748	-0.689
H9	2.457	0.971	-0.303
H10	2.457	-0.223	0.993

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.2098	1.4676	2.6774	2.1133	2.1133	2.1133	3.2267	3.2267	3.2267
C2	1.2098		2.6774	1.4676	3.2267	3.2267	3.2267	2.1133	2.1133	2.1133
C3	1.4676	2.6774		4.1451	1.0877	1.0877	1.0877	4.6426	4.6426	4.6426
C4	2.6774	1.4676	4.1451		4.6426	4.6426	4.6426	1.0877	1.0877	1.0877
H5	2.1133	3.2267	1.0877	4.6426		1.7621	1.7621	4.9145	5.2209	5.2209
H6	2.1133	3.2267	1.0877	4.6426	1.7621		1.7621	5.2209	5.2209	4.9145
H7	2.1133	3.2267	1.0877	4.6426	1.7621	1.7621		5.2209	4.9145	5.2209
H8	3.2267	2.1133	4.6426	1.0877	4.9145	5.2209	5.2209		1.7621	1.7621
H9	3.2267	2.1133	4.6426	1.0877	5.2209	5.2209	4.9145	1.7621		1.7621
H10	3.2267	2.1133	4.6426	1.0877	5.2209	4.9145	5.2209	1.7621	1.7621

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	180.000	C1	C3	H5	110.715
C1	C3	H6	110.715	C1	C3	H7	110.715
C2	C1	C3	180.000	C2	C4	H8	110.715
C2	C4	H9	110.715	C2	C4	H10	110.715
H5	C3	H6	108.199	H5	C3	H7	108.199
H6	C3	H7	108.199	H8	C4	H9	108.199
H8	C4	H10	108.199	H9	C4	H10	108.199

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

using model chemistry: MP3=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: MP3=FULL/6-31+G**

States and conformations

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