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	hartrees
Energy at 0K	-536.161446
Energy at 298.15K	-536.160851
HF Energy	-535.732226
Nuclear repulsion energy	73.190517

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	3468	3306
2	Σ	2142	2041
3	Σ	746	711
4	Π	585	558
4	Π	585	558
5	Π	295	281
5	Π	295	281

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.848
C2	0.000	0.000	-0.621
Cl3	0.000	0.000	1.044
H4	0.000	0.000	-2.926

	C1	C2	Cl3	H4
C1		1.2273	2.8923	1.0779
C2	1.2273		1.6650	2.3052
Cl3	2.8923	1.6650		3.9702
H4	1.0779	2.3052	3.9702

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: QCISD(T)/cc-pVDZ

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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