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	hartrees
Energy at 0K	-536.124546
Energy at 298.15K	-536.124005
HF Energy	-535.732126
Nuclear repulsion energy	73.458116

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3510	3344	91.93
2	Σ	2120	2019	29.97
3	Σ	765	729	9.89
4	Π	594	566	39.87
4	Π	594	566	39.87
5	Π	310	295	1.00
5	Π	310	295	1.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.844
C2	0.000	0.000	-0.615
Cl3	0.000	0.000	1.039
H4	0.000	0.000	-2.918

	C1	C2	Cl3	H4
C1		1.2292	2.8833	1.0744
C2	1.2292		1.6540	2.3036
Cl3	2.8833	1.6540		3.9576
H4	1.0744	2.3036	3.9576

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: MP2/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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