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	hartrees
Energy at 0K	-530.853009
Energy at 298.15K	-530.852282
HF Energy	-530.853009
Nuclear repulsion energy	71.496718

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3579	3311	172.85
2	Σ	2296	2124	1.48
3	Σ	717	663	6.17
4	Π	649	601	17.38
4	Π	649	601	17.38
5	Π	291	269	0.03
5	Π	291	269	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.882
C2	0.000	0.000	-0.664
Cl3	0.000	0.000	1.073
H4	0.000	0.000	-2.970

	C1	C2	Cl3	H4
C1		1.2175	2.9551	1.0882
C2	1.2175		1.7375	2.3057
Cl3	2.9551	1.7375		4.0433
H4	1.0882	2.3057	4.0433

Number	Element	Mulliken
1	C	-0.101
2	C	-0.033
3	Cl	0.005
4	H	0.129

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: BLYP/STO-3G

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>	65.384
(<r²>)^1/2	8.086