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	hartrees
Energy at 0K	-990.491368
Energy at 298.15K	-990.490059
HF Energy	-990.015227
Nuclear repulsion energy	151.809364

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2334	2243	0.00
2	Σ_g	454	436	0.00
3	Σ_u	950	913	22.21
4	Π_g	410	394	0.00
4	Π_g	410	394	0.00
5	Π_u	176	169	0.65
5	Π_u	176	169	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.605
C2	0.000	0.000	-0.605
Cl3	0.000	0.000	2.270
Cl4	0.000	0.000	-2.270

	C1	C2	Cl3	Cl4
C1		1.2102	1.6650	2.8752
C2	1.2102		2.8752	1.6650
Cl3	1.6650	2.8752		4.5401
Cl4	2.8752	1.6650	4.5401

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)