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	hartrees
Energy at 0K	-536.062477
Energy at 298.15K	-536.061959
HF Energy	-535.707005
Nuclear repulsion energy	74.288406

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3577	3304	80.31
2	Σ	2307	2131	20.74
3	Σ	779	720	8.28
4	Π	627	579	48.88
4	Π	627	579	48.88
5	Π	309	285	0.33
5	Π	309	285	0.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.817
C2	0.000	0.000	-0.619
Cl3	0.000	0.000	1.029
H4	0.000	0.000	-2.881

	C1	C2	Cl3	H4
C1		1.1983	2.8469	1.0631
C2	1.1983		1.6486	2.2614
Cl3	2.8469	1.6486		3.9100
H4	1.0631	2.2614	3.9100

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: CID/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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