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	hartrees
Energy at 0K	-77.189302
Energy at 298.15K	-77.189349
HF Energy	-76.846981
Nuclear repulsion energy	24.621620

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	3497	3497
2	Σ_g	1954	1954
3	Σ_u	3407	3407
4	Π_g	573	573
4	Π_g	573	573
5	Π_u	739	739
5	Π_u	739	739

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.607
C2	0.000	0.000	-0.607
H3	0.000	0.000	1.671
H4	0.000	0.000	-1.671

	C1	C2	H3	H4
C1		1.2130	1.0642	2.2772
C2	1.2130		2.2772	1.0642
H3	1.0642	2.2772		3.3413
H4	2.2772	1.0642	3.3413

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: MP4/6-311+G(3df,2pd)

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 C2H2 (Acetylene)

using model chemistry: MP4/6-311+G(3df,2pd)

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)