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	hartrees
Energy at 0K	-116.314104
Energy at 298.15K
HF Energy	-115.893339
Nuclear repulsion energy	58.431898

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3510	3335	53.17
2	A₁	3085	2931	15.68
3	A₁	2151	2044	0.97
4	A₁	1429	1358	0.10
5	A₁	950	903	0.98
6	E	3170	3013	7.87
6	E	3170	3013	7.87
7	E	1506	1431	7.92
7	E	1506	1431	7.92
8	E	1068	1015	0.22
8	E	1068	1015	0.22
9	E	631	599	44.30
9	E	631	599	44.30
10	E	298	283	5.31
10	E	298	283	5.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.248
C2	0.000	0.000	0.216
C3	0.000	0.000	1.433
H4	0.000	0.000	2.497
H5	0.000	1.023	-1.633
H6	0.886	-0.512	-1.633
H7	-0.886	-0.512	-1.633

	C1	C2	C3	H4	H5	H6	H7
C1		1.4639	2.6811	3.7451	1.0930	1.0930	1.0930
C2	1.4639		1.2172	2.2812	2.1129	2.1129	2.1129
C3	2.6811	1.2172		1.0640	3.2322	3.2322	3.2322
H4	3.7451	2.2812	1.0640		4.2548	4.2548	4.2548
H5	1.0930	2.1129	3.2322	4.2548		1.7719	1.7719
H6	1.0930	2.1129	3.2322	4.2548	1.7719		1.7719
H7	1.0930	2.1129	3.2322	4.2548	1.7719	1.7719

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	180.000	C2	C1	H5	110.617
C2	C1	H6	110.617	C2	C1	H7	110.617
C2	C3	H4	180.000	H5	C1	H6	108.302
H5	C1	H7	108.302	H6	C1	H7	108.302

All results from a given calculation for CH₃CCH (propyne)

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

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 CH3CCH (propyne)

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

States and conformations

All results from a given calculation for CH₃CCH (propyne)