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	hartrees
Energy at 0K	-536.116713
Energy at 298.15K	-536.115960
HF Energy	-535.707928
Nuclear repulsion energy	73.855398

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3535	3328	72.44
2	Σ	2217	2087	19.17
3	Σ	757	712	7.71
4	Π	565	532	42.82
4	Π	565	532	42.82
5	Π	246	231	0.01
5	Π	246	231	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.831
C2	0.000	0.000	-0.620
Cl3	0.000	0.000	1.035
H4	0.000	0.000	-2.893

	C1	C2	Cl3	H4
C1		1.2108	2.8658	1.0627
C2	1.2108		1.6550	2.2735
Cl3	2.8658	1.6550		3.9285
H4	1.0627	2.2735	3.9285

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: QCISD/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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