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	hartrees
Energy at 0K	-2765.701232
Energy at 298.15K	-2765.705092
HF Energy	-2765.701232
Nuclear repulsion energy	216.320522

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1384	1376	178.79
2	A'	789	785	138.46
3	A'	617	613	10.65
4	A'	343	342	5.93
5	A'	176	175	0.08
6	A"	160	159	0.01

Atom	x (Å)	y (Å)
Br1	-0.793	-0.819
O2	0.000	0.929
N3	1.617	0.805
O4	2.056	1.948

	Br1	O2	N3	O4
Br1		1.9196	2.9062	3.9719
O2	1.9196		1.6220	2.2948
N3	2.9062	1.6220		1.2251
O4	3.9719	2.2948	1.2251

Number	Element	Mulliken
1	Br	0.202
2	O	-0.292
3	N	0.274
4	O	-0.184

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

using model chemistry: BLYP/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
	-0.049	-0.972	0.000	0.973
CHELPG
AIM
ESP

	x	y	z
x	5.709	3.523	0.000
y	3.523	5.439	0.000
z	0.000	0.000	1.100

<r²>	160.063
(<r²>)^1/2	12.652