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	hartrees
Energy at 0K	-552.945073
Energy at 298.15K	-552.944759
Nuclear repulsion energy	74.462525

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2325	2244	43.86
2	Σ	759	733	8.19
3	Π	401	387	2.34
3	Π	401	387	2.34

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.000	0.000	0.982
C2	0.000	0.000	-0.657
N3	0.000	0.000	-1.822

	Cl1	C2	N3
Cl1		1.6395	2.8041
C2	1.6395		1.1647
N3	2.8041	1.1647

Number	Element	Mulliken
1	Cl	0.094
2	C	0.017
3	N	-0.111

All results from a given calculation for ClCN (chlorocyanogen)

using model chemistry: B3PW91/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>	57.142
(<r²>)^1/2	7.559