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	hartrees
Energy at 0K	-536.686162
Energy at 298.15K	-536.685534
HF Energy	-536.548661
Nuclear repulsion energy	74.036563

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3515	3343	94.18
2	Σ	2176	2069	43.78
3	Σ	756	719	10.64
4	Π	579	551	61.24
4	Π	579	551	61.24
5	Π	286	272	0.62
5	Π	286	272	0.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.827
C2	0.000	0.000	-0.615
Cl3	0.000	0.000	1.032
H4	0.000	0.000	-2.891

	C1	C2	Cl3	H4
C1		1.2120	2.8593	1.0633
C2	1.2120		1.6473	2.2752
Cl3	2.8593	1.6473		3.9226
H4	1.0633	2.2752	3.9226

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: B2PLYP=FULL/6-31+G**

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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