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	hartrees
Energy at 0K	-995.135956
Energy at 298.15K	-995.133998
HF Energy	-994.592685
Nuclear repulsion energy	153.185497

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2293	2142	0.00
2	Σ_g	485	453	0.00
3	Σ_u	1024	957	52.25
4	Π_g	144	135	0.00
4	Π_g	144	135	0.00
5	Π_u	172	161	0.79
5	Π_u	172	161	0.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.608
C2	0.000	0.000	-0.608
Cl3	0.000	0.000	2.250
Cl4	0.000	0.000	-2.250

	C1	C2	Cl3	Cl4
C1		1.2152	1.6421	2.8573
C2	1.2152		2.8573	1.6421
Cl3	1.6421	2.8573		4.4995
Cl4	2.8573	1.6421	4.4995

Number	Element	Mulliken
1	C	-0.113
2	C	-0.113
3	Cl	0.113
4	Cl	0.113

All results from a given calculation for C₂Cl₂ (dichloroacetylene)

using model chemistry: MP2=FULL/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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<r²>	198.091
(<r²>)^1/2	14.074

All results from a given calculation for C2Cl2 (dichloroacetylene)

using model chemistry: MP2=FULL/6-31G**

States and conformations

All results from a given calculation for C₂Cl₂ (dichloroacetylene)