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	hartrees
Energy at 0K	-2766.200634
Energy at 298.15K	-2766.204702
HF Energy	-2766.200634
Nuclear repulsion energy	225.657880

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1541	1472	216.56
2	A'	855	816	194.85
3	A'	740	706	110.62
4	A'	418	399	10.13
5	A'	213	204	0.27
6	A"	158	151	0.01

Atom	x (Å)	y (Å)
Br1	-0.778	-0.758
O2	0.000	0.910
N3	1.548	0.706
O4	2.051	1.787

	Br1	O2	N3	O4
Br1		1.8404	2.7485	3.8047
O2	1.8404		1.5614	2.2301
N3	2.7485	1.5614		1.1916
O4	3.8047	2.2301	1.1916

Number	Element	Mulliken
1	Br	0.168
2	O	-0.303
3	N	0.351
4	O	-0.216

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

using model chemistry: B1B95/3-21G*

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
	0.078	-1.049	0.000	1.052
CHELPG
AIM
ESP

	x	y	z
x	5.895	2.761	0.000
y	2.761	5.147	0.000
z	0.000	0.000	2.037

<r²>	147.938
(<r²>)^1/2	12.163