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	hartrees
Energy at 0K	-536.285490
Energy at 298.15K	-536.285093
HF Energy	-535.774490
Nuclear repulsion energy	74.240857

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3501	3295	84.64
2	Σ	2205	2075	27.53
3	Σ	758	713	8.00
4	Π	648	610	45.41
4	Π	648	610	45.41
5	Π	346	325	3.13
5	Π	346	325	3.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.820
C2	0.000	0.000	-0.618
Cl3	0.000	0.000	1.030
H4	0.000	0.000	-2.880

	C1	C2	Cl3	H4
C1		1.2018	2.8498	1.0603
C2	1.2018		1.6480	2.2621
Cl3	2.8498	1.6480		3.9101
H4	1.0603	2.2621	3.9101

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: CCSD/cc-pVTZ

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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