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	hartrees
Energy at 0K	-536.117651
Energy at 298.15K	-536.116904
HF Energy	-535.712367
Nuclear repulsion energy	73.945279

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3536	3332	78.00
2	Σ	2226	2098	31.03
3	Σ	759	715	8.88
4	Π	572	539	58.25
4	Π	572	539	58.25
5	Π	243	229	0.13
5	Π	243	229	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.828
C2	0.000	0.000	-0.619
Cl3	0.000	0.000	1.034
H4	0.000	0.000	-2.891

	C1	C2	Cl3	H4
C1		1.2095	2.8621	1.0630
C2	1.2095		1.6527	2.2725
Cl3	2.8621	1.6527		3.9252
H4	1.0630	2.2725	3.9252

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: CCD/6-31+G**

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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