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	hartrees
Energy at 0K	-536.750528
Energy at 298.15K	-536.749989
HF Energy	-536.588705
Nuclear repulsion energy	74.237584

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3505	3505	92.43
2	Σ	2172	2172	36.75
3	Σ	757	757	10.93
4	Π	615	615	46.09
4	Π	615	615	46.09
5	Π	301	301	2.30
5	Π	301	301	2.30

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	-2.882

	C1	C2	Cl3	H4
C1		1.2049	2.8506	1.0611
C2	1.2049		1.6457	2.2661
Cl3	2.8506	1.6457		3.9117
H4	1.0611	2.2661	3.9117

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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