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	hartrees
Energy at 0K	-2762.121663
Energy at 298.15K	-2762.125694
HF Energy	-2762.121663
Nuclear repulsion energy	225.252978

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1494	1468	200.89
2	A'	851	835	129.27
3	A'	703	690	36.03
4	A'	398	391	6.04
5	A'	198	194	0.76
6	A"	173	170	0.01

Atom	x (Å)	y (Å)
Br1	-0.790	-0.745
O2	0.000	0.908
N3	1.563	0.677
O4	2.091	1.758

	Br1	O2	N3	O4
Br1		1.8320	2.7496	3.8163
O2	1.8320		1.5800	2.2568
N3	2.7496	1.5800		1.2030
O4	3.8163	2.2568	1.2030

Number	Element	Mulliken
1	Br	0.155
2	O	-0.242
3	N	0.275
4	O	-0.187

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

using model chemistry: LSDA/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
	-0.151	-0.925	0.000	0.937
CHELPG
AIM
ESP

	x	y	z
x	6.340	2.936	0.000
y	2.936	5.152	0.000
z	0.000	0.000	2.048

<r²>	148.420
(<r²>)^1/2	12.183