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	hartrees
Energy at 0K	-536.282377
Energy at 298.15K	-536.281651
HF Energy	-535.747386
Nuclear repulsion energy	73.831549

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	3497	3362
2	Σ	2107	2026
3	Σ	751	722
4	Π	570	548
4	Π	570	548
5	Π	250	240
5	Π	250	240

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.833
C2	0.000	0.000	-0.616
Cl3	0.000	0.000	1.035
H4	0.000	0.000	-2.898

	C1	C2	Cl3	H4
C1		1.2175	2.8679	1.0652
C2	1.2175		1.6504	2.2827
Cl3	2.8679	1.6504		3.9331
H4	1.0652	2.2827	3.9331

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: MP4=FULL/6-311G**

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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