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	hartrees
Energy at 0K	-536.146031
Energy at 298.15K	-536.145540
HF Energy	-535.733208
Nuclear repulsion energy	73.367955

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3489	3347	82.23
2	Σ	2186	2097	24.14
3	Σ	755	724	8.36
4	Π	623	598	38.79
4	Π	623	598	38.79
5	Π	319	306	1.63
5	Π	319	306	1.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.843
C2	0.000	0.000	-0.622
Cl3	0.000	0.000	1.042
H4	0.000	0.000	-2.919

	C1	C2	Cl3	H4
C1		1.2212	2.8845	1.0763
C2	1.2212		1.6632	2.2976
Cl3	2.8845	1.6632		3.9608
H4	1.0763	2.2976	3.9608

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: QCISD/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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