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	hartrees
Energy at 0K	-77.211358
Energy at 298.15K	-77.211424
HF Energy	-76.853463
Nuclear repulsion energy	24.657479

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	3501	3501
2	Σ_g	1963	1963
3	Σ_u	3413	3413
4	Π_g	583	583
4	Π_g	583	583
5	Π_u	743	743
5	Π_u	742	742

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.605
C2	0.000	0.000	-0.605
H3	0.000	0.000	1.669
H4	0.000	0.000	-1.669

	C1	C2	H3	H4
C1		1.2106	1.0633	2.2739
C2	1.2106		2.2739	1.0633
H3	1.0633	2.2739		3.3371
H4	2.2739	1.0633	3.3371

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: MP4/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/cc-pVQZ

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)