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	hartrees
Energy at 0K	-2665.124637
Energy at 298.15K
HF Energy	-2664.669151
Nuclear repulsion energy	123.529356

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	2209	2118
2	Σ	581	557
3	Π	337	323
3	Π	337	323

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.148
N2	0.000	0.000	-2.329
Br3	0.000	0.000	0.663

	C1	N2	Br3
C1		1.1804	1.8110
N2	1.1804		2.9914
Br3	1.8110	2.9914

All results from a given calculation for BrCN (Cyanogen bromide)

using model chemistry: QCISD(T)=FULL/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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