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	hartrees
Energy at 0K	-2765.609788
Energy at 298.15K	-2765.613823
HF Energy	-2765.609788
Nuclear repulsion energy	222.212470

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1505	1446	189.78
2	A'	845	812	234.96
3	A'	717	689	40.09
4	A'	395	380	7.80
5	A'	207	199	0.12
6	A"	162	156	0.00

Atom	x (Å)	y (Å)
Br1	-0.767	-0.800
O2	0.000	0.915
N3	1.552	0.785
O4	2.000	1.900

	Br1	O2	N3	O4
Br1		1.8792	2.8096	3.8662
O2	1.8792		1.5573	2.2290
N3	2.8096	1.5573		1.2009
O4	3.8662	2.2290	1.2009

Number	Element	Mulliken
1	Br	0.241
2	O	-0.359
3	N	0.331
4	O	-0.213

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

using model chemistry: B3PW91/3-21G

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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-0.036	-1.155	0.000	1.156
CHELPG
AIM
ESP

	x	y	z
x	5.115	3.150	0.000
y	3.150	5.099	0.000
z	0.000	0.000	1.098

<r²>	152.584
(<r²>)^1/2	12.352