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	hartrees
Energy at 0K	-77.126401
Energy at 298.15K	-77.126077
HF Energy	-76.825061
Nuclear repulsion energy	24.265551

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	3492	3406
2	Σ_g	1941	1893
3	Σ_u	3399	3315
4	Π_g	367	358
4	Π_g	366	357
5	Π_u	697	679
5	Π_u	697	679

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.616
C2	0.000	0.000	-0.616
H3	0.000	0.000	1.693
H4	0.000	0.000	-1.693

	C1	C2	H3	H4
C1		1.2320	1.0775	2.3094
C2	1.2320		2.3094	1.0775
H3	1.0775	2.3094		3.3869
H4	2.3094	1.0775	3.3869

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: MP4=FULL/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)