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	hartrees
Energy at 0K	-533.535895
Energy at 298.15K	-533.535370
HF Energy	-533.204790
Nuclear repulsion energy	73.610078

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3497	3315	70.55
2	Σ	2130	2019	14.52
3	Σ	727	689	6.39
4	Π	622	590	48.35
4	Π	622	590	48.35
5	Π	314	297	1.67
5	Π	314	297	1.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.839
C2	0.000	0.000	-0.619
Cl3	0.000	0.000	1.038
H4	0.000	0.000	-2.902

	C1	C2	Cl3	H4
C1		1.2191	2.8768	1.0634
C2	1.2191		1.6577	2.2825
Cl3	2.8768	1.6577		3.9402
H4	1.0634	2.2825	3.9402

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: MP2=FULL/3-21G*

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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