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	hartrees
Energy at 0K	-77.269664
Energy at 298.15K	-77.269740
HF Energy	-76.853809
Nuclear repulsion energy	24.704858

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	3508	3508
2	Σ_g	1970	1970
3	Σ_u	3419	3419
4	Π_g	585	585
4	Π_g	585	585
5	Π_u	753	753
5	Π_u	753	753

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.604
C2	0.000	0.000	-0.604
H3	0.000	0.000	1.665
H4	0.000	0.000	-1.665

	C1	C2	H3	H4
C1		1.2083	1.0612	2.2695
C2	1.2083		2.2695	1.0612
H3	1.0612	2.2695		3.3307
H4	2.2695	1.0612	3.3307

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: MP4=FULL/cc-pVQZ

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=FULL/cc-pVQZ

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)