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	hartrees
Energy at 0K	-536.198011
Energy at 298.15K	-536.196786
HF Energy	-535.756222
Nuclear repulsion energy	73.740408

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	3495	3364
2	Σ	2159	2078
3	Σ	732	705
4	Π	492	474
4	Π	492	474
5	Π	124	120
5	Π	124	120

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.833
C2	0.000	0.000	-0.623
Cl3	0.000	0.000	1.037
H4	0.000	0.000	-2.896

	C1	C2	Cl3	H4
C1		1.2096	2.8698	1.0630
C2	1.2096		1.6602	2.2726
Cl3	2.8698	1.6602		3.9328
H4	1.0630	2.2726	3.9328

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: CCSD(T)/TZVP

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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