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	hartrees
Energy at 0K	-2854.691561
Energy at 298.15K	-2854.696920
HF Energy	-2854.691561
Nuclear repulsion energy	334.294982

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1855	1778	351.69
2	A'	1388	1330	313.60
3	A'	852	817	245.59
4	A'	772	740	1.22
5	A'	607	582	83.76
6	A'	411	394	0.39
7	A'	214	205	0.00
8	A"	767	735	15.04
9	A"	123	118	0.55

Atom	x (Å)	y (Å)
Br1	-1.142	-0.546
O2	0.000	0.900
N3	1.411	0.568
O4	2.046	1.568
O5	1.717	-0.575

	Br1	O2	N3	O4	O5
Br1		1.8433	2.7856	3.8259	2.8589
O2	1.8433		1.4491	2.1525	2.2635
N3	2.7856	1.4491		1.1845	1.1838
O4	3.8259	2.1525	1.1845		2.1682
O5	2.8589	2.2635	1.1838	2.1682

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	115.051		O2	N3	O4	109.223
O2	N3	O5	118.218		O4	N3	O5	132.559

All results from a given calculation for BrONO₂ (Bromine nitrate)

using model chemistry: B1B95/6-311G*

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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Number	Element	Mulliken
1	Br	0.256
2	O	-0.326
3	N	0.481
4	O	-0.201
5	O	-0.210

	x	y	z	Total
	-1.445	-1.123	0.000	1.830
CHELPG
AIM
ESP

	x	y	z
x	7.287	1.953	0.000
y	1.953	5.845	0.000
z	0.000	0.000	2.451

<r²>	182.851
(<r²>)^1/2	13.522

All results from a given calculation for BrONO2 (Bromine nitrate)

using model chemistry: B1B95/6-311G*

States and conformations

All results from a given calculation for BrONO₂ (Bromine nitrate)