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	hartrees
Energy at 0K	-530.006946
Energy at 298.15K	-530.006384
HF Energy	-529.842097
Nuclear repulsion energy	71.623625

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3731	3317	133.71
2	Σ	2271	2019	0.02
3	Σ	759	675	3.02
4	Π	726	646	12.27
4	Π	726	646	12.27
5	Π	321	285	0.01
5	Π	321	285	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.881
C2	0.000	0.000	-0.660
Cl3	0.000	0.000	1.071
H4	0.000	0.000	-2.962

	C1	C2	Cl3	H4
C1		1.2209	2.9516	1.0815
C2	1.2209		1.7307	2.3024
Cl3	2.9516	1.7307		4.0331
H4	1.0815	2.3024	4.0331

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: MP2=FULL/STO-3G

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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