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	hartrees
Energy at 0K	-533.507379
Energy at 298.15K	-533.507086
HF Energy	-533.206697
Nuclear repulsion energy	73.940898

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3527	3296	71.92
2	Σ	2267	2118	11.57
3	Σ	741	693	4.73
4	Π	727	679	46.39
4	Π	727	679	46.39
5	Π	370	346	5.42
5	Π	370	346	5.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.827
C2	0.000	0.000	-0.623
Cl3	0.000	0.000	1.035
H4	0.000	0.000	-2.888

	C1	C2	Cl3	H4
C1		1.2031	2.8611	1.0615
C2	1.2031		1.6580	2.2646
Cl3	2.8611	1.6580		3.9226
H4	1.0615	2.2646	3.9226

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: CISD/3-21G*

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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