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	hartrees
Energy at 0K	-536.929419
Energy at 298.15K	-536.928781
HF Energy	-536.929419
Nuclear repulsion energy	73.666095

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3412	3403	96.30
2	Σ	2130	2125	51.67
3	Σ	714	712	11.79
4	Π	562	561	57.79
4	Π	562	561	57.79
5	Π	294	293	1.57
5	Π	294	293	1.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.834
C2	0.000	0.000	-0.624
Cl3	0.000	0.000	1.038
H4	0.000	0.000	-2.901

	C1	C2	Cl3	H4
C1		1.2097	2.8720	1.0672
C2	1.2097		1.6623	2.2769
Cl3	2.8720	1.6623		3.9392
H4	1.0672	2.2769	3.9392

Number	Element	Mulliken
1	C	0.017
2	C	-0.232
3	Cl	0.039
4	H	0.176

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: BLYP/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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<r²>	63.479
(<r²>)^1/2	7.967