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	hartrees
Energy at 0K	-2667.021938
Energy at 298.15K
HF Energy	-2667.021938
Nuclear repulsion energy	125.416828

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	Σ	2348	2242	24.84	91.08	0.24	0.39
2	Σ	596	569	0.81	3.42	0.21	0.35
3	Π	369	352	1.71	1.84	0.75	0.86
3	Π	369	352	1.71	1.84	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.139
N2	0.000	0.000	-2.289
Br3	0.000	0.000	0.653

	C1	N2	Br3
C1		1.1500	1.7918
N2	1.1500		2.9418
Br3	1.7918	2.9418

Number	Element	Mulliken
1	C	0.021
2	N	-0.123
3	Br	0.102

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

using model chemistry: wB97X-D/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>	78.539
(<r²>)^1/2	8.862