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	hartrees
Energy at 0K	-77.110586
Energy at 298.15K	-77.110567
HF Energy	-76.822380
Nuclear repulsion energy	24.264044

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	3507	3391
2	Σ_g	1956	1891
3	Σ_u	3419	3306
4	Π_g	523	505
4	Π_g	523	505
5	Π_u	737	713
5	Π_u	737	713

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	1.694
H4	0.000	0.000	-1.694

	C1	C2	H3	H4
C1		1.2311	1.0786	2.3097
C2	1.2311		2.3097	1.0786
H3	1.0786	2.3097		3.3884
H4	2.3097	1.0786	3.3884

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: MP4/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/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)