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	hartrees
Energy at 0K	-536.194027
Energy at 298.15K	-536.193129
HF Energy	-535.747231
Nuclear repulsion energy	73.767641

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	3489	3383
2	Σ	2102	2039
3	Σ	749	726
4	Π	549	533
4	Π	549	532
5	Π	199	193
5	Π	199	193

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.835
C2	0.000	0.000	-0.616
Cl3	0.000	0.000	1.036
H4	0.000	0.000	-2.901

	C1	C2	Cl3	H4
C1		1.2183	2.8704	1.0658
C2	1.2183		1.6521	2.2841
Cl3	2.8704	1.6521		3.9362
H4	1.0658	2.2841	3.9362

All results from a given calculation for HCCCl (Chloroacetylene)

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

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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