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	hartrees
Energy at 0K	-990.084153
Energy at 298.15K	-990.083101
HF Energy	-989.782673
Nuclear repulsion energy	146.898259

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2345	2272	0.00
2	Σ_g	408	395	0.00
3	Σ_u	854	828	8.15
4	Π_g	588	569	0.00
4	Π_g	588	569	0.00
5	Π_u	189	183	0.62
5	Π_u	189	183	0.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.603
C2	0.000	0.000	-0.603
Cl3	0.000	0.000	2.347
Cl4	0.000	0.000	-2.347

	C1	C2	Cl3	Cl4
C1		1.2061	1.7435	2.9496
C2	1.2061		2.9496	1.7435
Cl3	1.7435	2.9496		4.6931
Cl4	2.9496	1.7435	4.6931

All results from a given calculation for C₂Cl₂ (dichloroacetylene)

using model chemistry: QCISD/3-21G

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 C2Cl2 (dichloroacetylene)

using model chemistry: QCISD/3-21G

States and conformations

All results from a given calculation for C₂Cl₂ (dichloroacetylene)