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	hartrees
Energy at 0K	-2765.850122
Energy at 298.15K	-2765.854171
HF Energy	-2765.850122
Nuclear repulsion energy	224.247207

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1517	1456	216.93
2	A'	849	815	182.42
3	A'	722	693	90.29
4	A'	409	392	9.87
5	A'	210	202	0.24
6	A"	161	154	0.01

Atom	x (Å)	y (Å)
Br1	-0.784	-0.763
O2	0.000	0.911
N3	1.562	0.714
O4	2.064	1.801

	Br1	O2	N3	O4
Br1		1.8485	2.7719	3.8315
O2	1.8485		1.5744	2.2471
N3	2.7719	1.5744		1.1972
O4	3.8315	2.2471	1.1972

Number	Element	Mulliken
1	Br	0.165
2	O	-0.291
3	N	0.337
4	O	-0.211

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

using model chemistry: B3PW91/3-21G*

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
	0.058	-1.010	0.000	1.011
CHELPG
AIM
ESP

	x	y	z
x	6.039	2.852	0.000
y	2.852	5.226	0.000
z	0.000	0.000	2.043

<r²>	149.773
(<r²>)^1/2	12.238