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	hartrees
Energy at 0K	-553.067888
Energy at 298.15K	-553.067563
HF Energy	-553.067888
Nuclear repulsion energy	74.567152

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2319	2238	44.73
2	Σ	733	708	8.35
3	Π	400	387	2.31
3	Π	400	387	2.31

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.000	0.000	0.982
C2	0.000	0.000	-0.663
N3	0.000	0.000	-1.817

	Cl1	C2	N3
Cl1		1.6453	2.7991
C2	1.6453		1.1537
N3	2.7991	1.1537

Number	Element	Mulliken
1	Cl	0.076
2	C	0.043
3	N	-0.119

All results from a given calculation for ClCN (chlorocyanogen)

using model chemistry: B3LYP/TZVP

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>	57.423
(<r²>)^1/2	7.578