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	hartrees
Energy at 0K	-2652.376156
Energy at 298.15K
HF Energy	-2652.032262
Nuclear repulsion energy	123.957650

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2358	2358	5.60
2	Σ	596	596	0.21
3	Π	391	391	1.35
3	Π	391	391	1.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.152
N2	0.000	0.000	-2.316
Br3	0.000	0.000	0.661

	C1	N2	Br3
C1		1.1644	1.8124
N2	1.1644		2.9767
Br3	1.8124	2.9767

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

using model chemistry: MP3=FULL/3-21G*

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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