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	hartrees
Energy at 0K	-2772.975200
Energy at 298.15K
HF Energy	-2772.975200
Nuclear repulsion energy	229.401827

Atom	x (Å)	y (Å)
Br1	-0.699	-0.827
O2	0.000	0.867
N3	1.446	0.868
O4	1.792	1.991

	Br1	O2	N3	O4
Br1		1.8327	2.7338	3.7609
O2	1.8327		1.4460	2.1153
N3	2.7338	1.4460		1.1746
O4	3.7609	2.1153	1.1746

Number	Element	Mulliken
1	Br	0.150
2	O	-0.050
3	N	-0.156
4	O	0.056

	x	y	z	Total
	-0.386	-1.102	0.000	1.167
CHELPG
AIM
ESP

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

using model chemistry: LSDA/6-31+G**

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
x	7.127	2.965	0.000
y	2.965	7.427	0.000
z	0.000	0.000	3.711

<r²>	145.746
(<r²>)^1/2	12.073