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	hartrees
Energy at 0K	-536.101636
Energy at 298.15K	-536.100876
HF Energy	-535.706490
Nuclear repulsion energy	74.092212

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3540	3322	80.02
2	Σ	2274	2135	22.04
3	Σ	769	722	8.75
4	Π	563	528	49.22
4	Π	563	528	49.22
5	Π	245	230	0.11
5	Π	245	230	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.823
C2	0.000	0.000	-0.619
Cl3	0.000	0.000	1.032
H4	0.000	0.000	-2.889

	C1	C2	Cl3	H4
C1		1.2041	2.8551	1.0657
C2	1.2041		1.6510	2.2698
Cl3	2.8551	1.6510		3.9208
H4	1.0657	2.2698	3.9208

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: MP3/6-31G*

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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