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	hartrees
Energy at 0K	-536.698375
Energy at 298.15K	-536.697953
HF Energy	-536.698375
Nuclear repulsion energy	74.619499

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3502	3360	101.53
2	Σ	2228	2138	44.61
3	Σ	776	744	12.66
4	Π	644	618	46.50
4	Π	644	618	46.50
5	Π	335	321	4.34
5	Π	335	321	4.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.811
C2	0.000	0.000	-0.612
Cl3	0.000	0.000	1.024
H4	0.000	0.000	-2.874

	C1	C2	Cl3	H4
C1		1.1995	2.8350	1.0633
C2	1.1995		1.6356	2.2628
Cl3	2.8350	1.6356		3.8984
H4	1.0633	2.2628	3.8984

Number	Element	Mulliken
1	C	0.022
2	C	-0.105
3	Cl	-0.043
4	H	0.126

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: PBE1PBE/6-311G**

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>	62.075
(<r²>)^1/2	7.879