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	hartrees
Energy at 0K	-55.015098
Energy at 298.15K	-55.019062
HF Energy	-55.015098
Nuclear repulsion energy	55.407821

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1597	1547	239.19
2	A'	810	784	226.96
3	A'	646	626	130.58
4	A'	382	370	9.42
5	A'	203	197	0.08
6	A"	160	155	0.02

Atom	x (Å)	y (Å)
Br1	-0.748	-0.859
O2	0.000	0.928
N3	1.534	0.892
O4	1.930	2.049

	Br1	O2	N3	O4
Br1		1.9364	2.8759	3.9525
O2	1.9364		1.5343	2.2317
N3	2.8759	1.5343		1.2227
O4	3.9525	2.2317	1.2227

Number	Element	Mulliken
1	Br	0.245
2	O	-0.341
3	N	0.101
4	O	-0.005

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

using model chemistry: B3LYP/CEP-31G

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
	-0.161	-1.524	0.000	1.532
CHELPG
AIM
ESP

	x	y	z
x	5.774	3.757	0.000
y	3.757	6.577	0.000
z	0.000	0.000	1.243

<r²>	96.915
(<r²>)^1/2	9.845