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	hartrees
Energy at 0K	-552.374167
Energy at 298.15K	-552.373843
Nuclear repulsion energy	74.653304

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2303	2198	22.77
2	Σ	750	716	6.35
3	Π	397	379	3.17
3	Π	397	379	3.17

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.000	0.000	0.980
C2	0.000	0.000	-0.658
N3	0.000	0.000	-1.816

	Cl1	C2	N3
Cl1		1.6382	2.7966
C2	1.6382		1.1584
N3	2.7966	1.1584

All results from a given calculation for ClCN (chlorocyanogen)

using model chemistry: QCISD/cc-pV(T+d)Z

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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