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	hartrees
Energy at 0K	-12.304007
Energy at 298.15K	-12.304063
HF Energy	-12.038490
Nuclear repulsion energy	12.620583

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	3496	3300
2	Σ_g	1937	1828
3	Σ_u	3388	3198
4	Π_g	559	528
4	Π_g	559	528
5	Π_u	791	747
5	Π_u	791	747

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.629
C2	0.000	0.000	-0.629
H3	0.000	0.000	1.708
H4	0.000	0.000	-1.708

	C1	C2	H3	H4
C1		1.2572	1.0791	2.3363
C2	1.2572		2.3363	1.0791
H3	1.0791	2.3363		3.4154
H4	2.3363	1.0791	3.4154

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: MP4/CEP-31G*

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/CEP-31G*

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)