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	hartrees
Energy at 0K	-536.683013
Energy at 298.15K
HF Energy	-536.683013
Nuclear repulsion energy	74.389555

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.818
C2	0.000	0.000	-0.611
Cl3	0.000	0.000	1.027
H4	0.000	0.000	-2.884

	C1	C2	Cl3	H4
C1		1.2068	2.8447	1.0661
C2	1.2068		1.6379	2.2729
Cl3	2.8447	1.6379		3.9108
H4	1.0661	2.2729	3.9108

Number	Element	Mulliken
1	C	-0.683
2	C	0.061
3	Cl	0.391
4	H	0.230

	x	y	z	Total
	0.000	0.000	-0.439	0.439
CHELPG
AIM
ESP

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: HSEh1PBE/6-31+G**

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>	62.417
(<r²>)^1/2	7.900