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	hartrees
Energy at 0K	-536.749564
Energy at 298.15K	-536.748976
HF Energy	-536.595491
Nuclear repulsion energy	74.151556

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3509	3348	95.48
2	Σ	2178	2078	41.94
3	Σ	746	712	10.96
4	Π	589	562	56.36
4	Π	589	562	56.36
5	Π	295	282	1.42
5	Π	295	282	1.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.822
C2	0.000	0.000	-0.619
Cl3	0.000	0.000	1.031
H4	0.000	0.000	-2.882

	C1	C2	Cl3	H4
C1		1.2030	2.8535	1.0599
C2	1.2030		1.6505	2.2629
Cl3	2.8535	1.6505		3.9134
H4	1.0599	2.2629	3.9134

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: B2PLYP=FULL/TZVP

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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