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	hartrees
Energy at 0K	-553.012505
Energy at 298.15K	-553.012153
HF Energy	-553.012505
Nuclear repulsion energy	74.341409

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2298	2205	43.87
2	Σ	743	713	9.90
3	Π	391	375	3.21
3	Π	391	375	3.21

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.000	0.000	0.983
C2	0.000	0.000	-0.658
N3	0.000	0.000	-1.823

	Cl1	C2	N3
Cl1		1.6415	2.8065
C2	1.6415		1.1649
N3	2.8065	1.1649

Number	Element	Mulliken
1	Cl	0.199
2	C	0.210
3	N	-0.409

All results from a given calculation for ClCN (chlorocyanogen)

using model chemistry: TPSSh/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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<r²>	57.294
(<r²>)^1/2	7.569