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	hartrees
Energy at 0K	-2779.349871
Energy at 298.15K	-2779.354022
HF Energy	-2779.349871
Nuclear repulsion energy	229.913520

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1841	1764	291.91
2	A'	906	868	185.97
3	A'	658	631	278.62
4	A'	438	420	30.93
5	A'	244	234	0.00
6	A"	175	167	0.00

Atom	x (Å)	y (Å)
Br1	-0.714	-0.806
O2	0.000	0.892
N3	1.446	0.826
O4	1.860	1.910

	Br1	O2	N3	O4
Br1		1.8418	2.7074	3.7420
O2	1.8418		1.4475	2.1204
N3	2.7074	1.4475		1.1605
O4	3.7420	2.1204	1.1605

Number	Element	Mulliken
1	Br	0.382
2	O	-0.576
3	N	0.521
4	O	-0.327

All results from a given calculation for BrONO (Bromine nitrite)

using model chemistry: mPW1PW91/aug-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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-0.195	-0.942	0.000	0.962
CHELPG
AIM
ESP

	x	y	z
x	7.274	2.531	0.000
y	2.531	7.305	0.000
z	0.000	0.000	4.224

<r²>	144.440
(<r²>)^1/2	12.018