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	hartrees
Energy at 0K	-533.314143
Energy at 298.15K	-533.314002
HF Energy	-533.090952
Nuclear repulsion energy	71.996047

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3525	3284	65.87
2	Σ	2270	2115	5.50
3	Σ	669	623	2.03
4	Π	832	775	32.85
4	Π	832	775	32.85
5	Π	422	394	12.31
5	Π	422	394	12.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.869
C2	0.000	0.000	-0.667
Cl3	0.000	0.000	1.068
H4	0.000	0.000	-2.930

	C1	C2	Cl3	H4
C1		1.2012	2.9362	1.0617
C2	1.2012		1.7350	2.2629
Cl3	2.9362	1.7350		3.9979
H4	1.0617	2.2629	3.9979

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: CID/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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