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	hartrees
Energy at 0K	-2822.264729
Energy at 298.15K	-2822.269400
HF Energy	-2822.264729
Nuclear repulsion energy	314.690197

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1575	1457	15.47
2	A'	1191	1102	82.87
3	A'	763	706	3.04
4	A'	752	696	45.66
5	A'	501	463	1.42
6	A'	327	302	0.10
7	A'	175	162	0.11
8	A"	469	434	0.77
9	A"	124	115	0.00

Atom	x (Å)	y (Å)
Br1	-1.226	-0.438
O2	0.000	1.018
N3	1.516	0.426
O4	2.391	1.419
O5	1.646	-0.891

	Br1	O2	N3	O4	O5
Br1		1.9033	2.8753	4.0660	2.9073
O2	1.9033		1.6275	2.4245	2.5205
N3	2.8753	1.6275		1.3231	1.3240
O4	4.0660	2.4245	1.3231		2.4274
O5	2.9073	2.5205	1.3240	2.4274

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	108.793		O2	N3	O4	110.089
O2	N3	O5	116.924		O4	N3	O5	132.987

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

using model chemistry: BLYP/STO-3G

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	0.091
2	O	-0.070
3	N	0.103
4	O	-0.060
5	O	-0.063

	x	y	z	Total
	-0.551	-0.174	0.000	0.578
CHELPG
AIM
ESP

	x	y	z
x	6.047	1.681	0.000
y	1.681	3.503	0.000
z	0.000	0.000	0.466

<r²>	196.885
(<r²>)^1/2	14.032

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

using model chemistry: BLYP/STO-3G

States and conformations

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