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	hartrees
Energy at 0K	-2778.627408
Energy at 298.15K	-2778.631337
HF Energy	-2778.627408
Nuclear repulsion energy	223.679444

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1773	1763	300.85
2	A'	842	837	133.43
3	A'	555	551	79.61
4	A'	359	357	38.51
5	A'	203	202	0.07
6	A"	173	172	0.08

Atom	x (Å)	y (Å)
Br1	-0.748	-0.816
O2	0.000	0.900
N3	1.538	0.836
O4	1.928	1.939

	Br1	O2	N3	O4
Br1		1.8727	2.8213	3.8418
O2	1.8727		1.5394	2.1906
N3	2.8213	1.5394		1.1701
O4	3.8418	2.1906	1.1701

Number	Element	Mulliken
1	Br	0.159
2	O	-0.282
3	N	0.162
4	O	-0.039

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

using model chemistry: PBEPBE/cc-pVDZ

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
	0.207	-0.720	0.000	0.749
CHELPG
AIM
ESP

	x	y	z
x	6.215	3.133	0.000
y	3.133	6.034	0.000
z	0.000	0.000	2.240

<r²>	151.254
(<r²>)^1/2	12.299