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	hartrees
Energy at 0K	-77.235544
Energy at 298.15K	-77.235622
HF Energy	-76.847254
Nuclear repulsion energy	24.654499

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	3503	3503
2	Σ_g	1959	1959
3	Σ_u	3412	3412
4	Π_g	594	594
4	Π_g	594	594
5	Π_u	746	746
5	Π_u	745	745

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.606
C2	0.000	0.000	-0.606
H3	0.000	0.000	1.669
H4	0.000	0.000	-1.669

	C1	C2	H3	H4
C1		1.2112	1.0632	2.2744
C2	1.2112		2.2744	1.0632
H3	1.0632	2.2744		3.3376
H4	2.2744	1.0632	3.3376

All results from a given calculation for C₂H₂ (Acetylene)

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

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)