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	hartrees
Energy at 0K	-2664.540947
Energy at 298.15K
HF Energy	-2664.540947
Nuclear repulsion energy	125.384666

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	2303	2217	34.10	96.26	0.29	0.45
2	Σ	589	567	1.64	5.47	0.12	0.22
3	Π	403	388	1.49	2.17	0.75	0.86
3	Π	403	388	1.49	2.17	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.131
N2	0.000	0.000	-2.295
Br3	0.000	0.000	0.653

	C1	N2	Br3
C1		1.1636	1.7838
N2	1.1636		2.9474
Br3	1.7838	2.9474

Number	Element	Mulliken
1	C	0.251
2	N	-0.327
3	Br	0.077

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

using model chemistry: B3LYPultrafine/6-31+G**

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>	78.821
(<r²>)^1/2	8.878