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	hartrees
Energy at 0K	-536.315120
Energy at 298.15K	-536.314606
HF Energy	-535.772872
Nuclear repulsion energy	73.958146

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	3477	3370
2	Σ	2102	2037
3	Σ	746	723
4	Π	593	575
4	Π	593	575
5	Π	323	313
5	Π	323	313

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.830
C2	0.000	0.000	-0.615
Cl3	0.000	0.000	1.033
H4	0.000	0.000	-2.892

	C1	C2	Cl3	H4
C1		1.2146	2.8629	1.0624
C2	1.2146		1.6484	2.2770
Cl3	2.8629	1.6484		3.9253
H4	1.0624	2.2770	3.9253

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: MP4/cc-pVTZ

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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