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	hartrees
Energy at 0K	-536.174991
Energy at 298.15K	-536.174330
HF Energy	-535.748668
Nuclear repulsion energy	74.003692

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3501	3340	79.29
2	Σ	2187	2087	26.48
3	Σ	759	724	9.20
4	Π	601	574	43.93
4	Π	601	574	43.93
5	Π	259	247	0.91
5	Π	259	247	0.91

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.827
C2	0.000	0.000	-0.618
Cl3	0.000	0.000	1.033
H4	0.000	0.000	-2.891

	C1	C2	Cl3	H4
C1		1.2083	2.8594	1.0648
C2	1.2083		1.6511	2.2732
Cl3	2.8594	1.6511		3.9243
H4	1.0648	2.2732	3.9243

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: QCISD/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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