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	hartrees
Energy at 0K	-77.060681
Energy at 298.15K	-77.060680
HF Energy	-76.817045
Nuclear repulsion energy	24.761008

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3601	3326	0.00
2	Σ_g	2130	1967	0.00
3	Σ_u	3497	3231	75.57
4	Π_g	519	480	0.00
4	Π_g	519	480	0.00
5	Π_u	787	727	91.93
5	Π_u	787	727	91.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.601
C2	0.000	0.000	-0.601
H3	0.000	0.000	1.666
H4	0.000	0.000	-1.666

	C1	C2	H3	H4
C1		1.2027	1.0649	2.2677
C2	1.2027		2.2677	1.0649
H3	1.0649	2.2677		3.3326
H4	2.2677	1.0649	3.3326

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: CID/6-31G*

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: CID/6-31G*

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)