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	hartrees
Energy at 0K	-76.989684
Energy at 298.15K	-76.989798
HF Energy	-76.795563
Nuclear repulsion energy	24.204559

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3478	3280	0.00
2	Σ_g	1961	1849	0.00
3	Σ_u	3381	3189	40.86
4	Π_g	649	612	0.00
4	Π_g	649	612	0.00
5	Π_u	725	684	111.09
5	Π_u	725	684	111.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.619
C2	0.000	0.000	-0.619
H3	0.000	0.000	1.694
H4	0.000	0.000	-1.694

	C1	C2	H3	H4
C1		1.2373	1.0752	2.3125
C2	1.2373		2.3125	1.0752
H3	1.0752	2.3125		3.3878
H4	2.3125	1.0752	3.3878

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: CCD/LANL2DZ

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/LANL2DZ

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)