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	hartrees
Energy at 0K	-2773.135436
Energy at 298.15K	-2773.139563
HF Energy	-2773.135436
Nuclear repulsion energy	232.758725

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1794	1765	253.27
2	A'	903	888	141.77
3	A'	632	622	116.47
4	A'	426	419	30.68
5	A'	236	232	0.22
6	A"	189	186	0.01

Atom	x (Å)	y (Å)
Br1	-0.721	-0.779
O2	0.000	0.859
N3	1.459	0.779
O4	1.878	1.866

	Br1	O2	N3	O4
Br1		1.7896	2.6792	3.7081
O2	1.7896		1.4610	2.1310
N3	2.6792	1.4610		1.1650
O4	3.7081	2.1310	1.1650

Number	Element	Mulliken
1	Br	0.214
2	O	-0.301
3	N	0.187
4	O	-0.100

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

using model chemistry: LSDA/6-31G(2df,p)

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
	-0.226	-0.651	0.000	0.689
CHELPG
AIM
ESP

	x	y	z
x	6.909	2.689	0.000
y	2.689	6.531	0.000
z	0.000	0.000	3.618

<r²>	141.251
(<r²>)^1/2	11.885