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	hartrees
Energy at 0K	-536.745764
Energy at 298.15K	-536.745118
HF Energy	-536.585518
Nuclear repulsion energy	74.219586

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3491	3491	80.03
2	Σ	2171	2171	35.15
3	Σ	756	756	11.00
4	Π	570	570	51.46
4	Π	570	570	51.46
5	Π	283	283	0.80
5	Π	283	283	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.821
C2	0.000	0.000	-0.616
Cl3	0.000	0.000	1.030
H4	0.000	0.000	-2.884

	C1	C2	Cl3	H4
C1		1.2053	2.8511	1.0626
C2	1.2053		1.6458	2.2679
Cl3	2.8511	1.6458		3.9137
H4	1.0626	2.2679	3.9137

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: B2PLYP=FULL/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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