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	hartrees
Energy at 0K	-552.958659
Energy at 298.15K	-552.958317
HF Energy	-552.958659
Nuclear repulsion energy	74.620159

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2358	2247	50.84
2	Σ	753	718	8.72
3	Π	388	370	2.87
3	Π	388	370	2.87

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.000	0.000	0.981
C2	0.000	0.000	-0.659
N3	0.000	0.000	-1.817

	Cl1	C2	N3
Cl1		1.6395	2.7973
C2	1.6395		1.1578
N3	2.7973	1.1578

Number	Element	Mulliken
1	Cl	0.279
2	C	0.065
3	N	-0.344

All results from a given calculation for ClCN (chlorocyanogen)

using model chemistry: wB97X-D/cc-pVDZ

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