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	hartrees
Energy at 0K	-535.253034
Energy at 298.15K	-535.252532
HF Energy	-535.253034
Nuclear repulsion energy	72.787428

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3441	3371	103.61
2	Σ	2194	2150	27.62
3	Σ	714	700	8.82
4	Π	642	629	54.56
4	Π	642	629	54.56
5	Π	316	310	2.83
5	Π	316	310	2.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.853
C2	0.000	0.000	-0.639
Cl3	0.000	0.000	1.052
H4	0.000	0.000	-2.927

	C1	C2	Cl3	H4
C1		1.2139	2.9054	1.0741
C2	1.2139		1.6914	2.2881
Cl3	2.9054	1.6914		3.9795
H4	1.0741	2.2881	3.9795

Number	Element	Mulliken
1	C	-0.395
2	C	-0.192
3	Cl	0.338
4	H	0.249

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: LSDA/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>	64.359
(<r²>)^1/2	8.022