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	hartrees
Energy at 0K	-2744.243821
Energy at 298.15K	-2744.247837
HF Energy	-2744.243821
Nuclear repulsion energy	222.250464

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1637	1466	30.87
2	A'	1007	902	84.06
3	A'	797	714	3.92
4	A'	421	377	0.71
5	A'	210	188	0.28
6	A"	184	165	0.02

Atom	x (Å)	y (Å)
Br1	-0.749	-0.810
O2	0.000	0.914
N3	1.513	0.767
O4	1.953	1.958

	Br1	O2	N3	O4
Br1		1.8802	2.7575	3.8685
O2	1.8802		1.5199	2.2145
N3	2.7575	1.5199		1.2698
O4	3.8685	2.2145	1.2698

Number	Element	Mulliken
1	Br	0.091
2	O	-0.068
3	N	0.024
4	O	-0.047

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

using model chemistry: LSDA/STO-3G

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
	-0.497	-0.161	0.000	0.522
CHELPG
AIM
ESP

	x	y	z
x	3.584	2.650	0.000
y	2.650	3.734	0.000
z	0.000	0.000	0.474

<r²>	149.726
(<r²>)^1/2	12.236