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	hartrees
Energy at 0K	-2704.091690
Energy at 298.15K	-2704.095119
HF Energy	-2704.091690
Nuclear repulsion energy	134.193243

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1826	1821	704.78
2	A'	522	521	50.06
3	A'	251	250	26.63

Atom	x (Å)	y (Å)
N1	0.480	-1.420
Br2	0.000	0.771
O3	-0.420	-2.130

	N1	Br2	O3
N1		2.2424	1.1470
Br2	2.2424		2.9316
O3	1.1470	2.9316

Number	Element	Mulliken
1	N	0.097
2	Br	-0.139
3	O	0.042

All results from a given calculation for BrNO (Nitrosyl bromide)

using model chemistry: BLYP/6-311G*

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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-0.012	-2.094	0.000	2.094
CHELPG
AIM
ESP

	x	y	z
x	2.691	-0.074	0.000
y	-0.074	9.030	0.000
z	0.000	0.000	2.105

<r²>	91.809
(<r²>)^1/2	9.582