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	hartrees
Energy at 0K	-77.128362
Energy at 298.15K	-77.128108
HF Energy	-76.848166
Nuclear repulsion energy	24.785817

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3559	3374	0.00
2	Σ_g	2070	1963	0.00
3	Σ_u	3461	3281	80.73
4	Π_g	380	360	0.00
4	Π_g	380	360	0.00
5	Π_u	751	712	102.10
5	Π_u	751	712	102.10

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	1.664
H4	0.000	0.000	-1.664

	C1	C2	H3	H4
C1		1.2022	1.0624	2.2647
C2	1.2022		2.2647	1.0624
H3	1.0624	2.2647		3.3271
H4	2.2647	1.0624	3.3271

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: CCD/TZVP

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/TZVP

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)