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	hartrees
Energy at 0K	-116.360218
Energy at 298.15K
HF Energy	-115.892778
Nuclear repulsion energy	58.242771

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3478	3373
2	A₁	3051	2958
3	A₁	2130	2066
4	A₁	1425	1382
5	A₁	936	907
6	E	3128	3034
6	E	3128	3033
7	E	1499	1453
7	E	1499	1453
8	E	1062	1030
8	E	1062	1030
9	E	605	587
9	E	605	587
10	E	282	274
10	E	282	273

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.253
C2	0.000	0.000	0.218
C3	0.000	0.000	1.437
H4	0.000	0.000	2.504
H5	0.000	1.026	-1.638
H6	0.889	-0.513	-1.638
H7	-0.889	-0.513	-1.638

	C1	C2	C3	H4	H5	H6	H7
C1		1.4707	2.6906	3.7572	1.0963	1.0963	1.0963
C2	1.4707		1.2198	2.2865	2.1207	2.1207	2.1207
C3	2.6906	1.2198		1.0666	3.2423	3.2423	3.2423
H4	3.7572	2.2865	1.0666		4.2675	4.2675	4.2675
H5	1.0963	2.1207	3.2423	4.2675		1.7779	1.7779
H6	1.0963	2.1207	3.2423	4.2675	1.7779		1.7779
H7	1.0963	2.1207	3.2423	4.2675	1.7779	1.7779

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	180.000	C2	C1	H5	110.558
C2	C1	H6	110.558	C2	C1	H7	110.558
C2	C3	H4	180.000	H5	C1	H6	108.363
H5	C1	H7	108.363	H6	C1	H7	108.363

All results from a given calculation for CH₃CCH (propyne)

using model chemistry: MP4/6-311G**

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: MP4/6-311G**

States and conformations

All results from a given calculation for CH₃CCH (propyne)