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	hartrees
Energy at 0K	-2776.543126
Energy at 298.15K	-2776.547498
HF Energy	-2776.543126
Nuclear repulsion energy	237.062667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2031	1830	300.28
2	A'	1012	912	210.49
3	A'	896	807	486.19
4	A'	519	468	1.81
5	A'	295	266	0.36
6	A"	163	147	0.13

Atom	x (Å)	y (Å)
Br1	-0.682	-0.796
O2	0.000	0.852
N3	1.380	0.836
O4	1.777	1.898

	Br1	O2	N3	O4
Br1		1.7833	2.6295	3.6471
O2	1.7833		1.3799	2.0619
N3	2.6295	1.3799		1.1335
O4	3.6471	2.0619	1.1335

Number	Element	Mulliken
1	Br	0.195
2	O	-0.302
3	N	0.237
4	O	-0.130

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

using model chemistry: ROHF/cc-pVTZ

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
	-0.434	-1.386	0.000	1.452
CHELPG
AIM
ESP

<r²>	137.883
(<r²>)^1/2	11.742