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	hartrees
Energy at 0K	-536.870459
Energy at 298.15K	-536.869673
HF Energy	-536.870459
Nuclear repulsion energy	73.522800

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3421	3394	86.51
2	Σ	2144	2128	34.94
3	Σ	724	719	10.24
4	Π	528	524	41.29
4	Π	528	524	41.29
5	Π	257	255	0.12
5	Π	257	255	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.839
C2	0.000	0.000	-0.622
Cl3	0.000	0.000	1.040
H4	0.000	0.000	-2.909

	C1	C2	Cl3	H4
C1		1.2168	2.8785	1.0707
C2	1.2168		1.6616	2.2875
Cl3	2.8785	1.6616		3.9491
H4	1.0707	2.2875	3.9491

Number	Element	Mulliken
1	C	-0.215
2	C	-0.004
3	Cl	0.093
4	H	0.127

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: BLYP/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>	63.257
(<r²>)^1/2	7.953