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	hartrees
Energy at 0K	-76.023087
Energy at 298.15K	-76.023210
HF Energy	-75.850101
Nuclear repulsion energy	24.465095

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3701	3701	0.00
2	Σ_g	2161	2161	0.00
3	Σ_u	3574	3574	145.27
4	Π_g	708	708	0.00
4	Π_g	708	708	0.00
5	Π_u	820	820	19.39
5	Π_u	820	820	19.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.606
C2	0.000	0.000	-0.606
H3	0.000	0.000	1.694
H4	0.000	0.000	-1.694

	C1	C2	H3	H4
C1		1.2126	1.0878	2.3004
C2	1.2126		2.3004	1.0878
H3	1.0878	2.3004		3.3881
H4	2.3004	1.0878	3.3881

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: QCISD/STO-3G

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: QCISD/STO-3G

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)