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	hartrees
Energy at 0K	-552.221955
Energy at 298.15K	-552.221580
HF Energy	-551.786529
Nuclear repulsion energy	73.715426

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2286	2193	17.88
2	Σ	741	711	6.87
3	Π	374	359	2.74
3	Π	374	359	2.74

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.000	0.000	0.993
C2	0.000	0.000	-0.666
N3	0.000	0.000	-1.840

	Cl1	C2	N3
Cl1		1.6585	2.8322
C2	1.6585		1.1737
N3	2.8322	1.1737

All results from a given calculation for ClCN (chlorocyanogen)

using model chemistry: QCISD/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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