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	hartrees
Energy at 0K	-536.149948
Energy at 298.15K	-536.149541
HF Energy	-535.734200
Nuclear repulsion energy	73.673650

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3530	3319	90.50
2	Σ	2245	2111	29.45
3	Σ	768	723	9.48
4	Π	652	613	40.21
4	Π	652	613	40.21
5	Π	339	319	2.31
5	Π	339	319	2.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.834
C2	0.000	0.000	-0.620
Cl3	0.000	0.000	1.037
H4	0.000	0.000	-2.908

	C1	C2	Cl3	H4
C1		1.2144	2.8719	1.0733
C2	1.2144		1.6575	2.2877
Cl3	2.8719	1.6575		3.9452
H4	1.0733	2.2877	3.9452

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: MP3=FULL/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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