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	hartrees
Energy at 0K	-12.195741
Energy at 298.15K	-12.195902
HF Energy	-12.010705
Nuclear repulsion energy	12.549736

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3461	3264	0.00
2	Σ_g	1946	1835	0.00
3	Σ_u	3347	3156	40.08
4	Π_g	651	614	0.00
4	Π_g	651	614	0.00
5	Π_u	779	735	122.86
5	Π_u	779	735	122.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.634
C2	0.000	0.000	-0.634
H3	0.000	0.000	1.715
H4	0.000	0.000	-1.715

	C1	C2	H3	H4
C1		1.2677	1.0815	2.3492
C2	1.2677		2.3492	1.0815
H3	1.0815	2.3492		3.4307
H4	2.3492	1.0815	3.4307

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: CCD/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: CCD/CEP-31G

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)