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	hartrees
Energy at 0K	-536.224428
Energy at 298.15K	-536.223938
HF Energy	-535.720549
Nuclear repulsion energy	74.585770

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3557	3343	99.75
2	Σ	2155	2025	21.50
3	Σ	779	732	8.69
4	Π	587	552	42.14
5	Π	587	552	42.14
6	Π	335	315	0.67
7	Π	335	315	0.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.818
C2	0.000	0.000	-0.608
Cl3	0.000	0.000	1.025
H4	0.000	0.000	-2.876

	C1	C2	Cl3	H4
C1		1.2102	2.8432	1.0585
C2	1.2102		1.6330	2.2687
Cl3	2.8432	1.6330		3.9017
H4	1.0585	2.2687	3.9017

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: MP2=FULL/6-31G(2df,p)

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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