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	hartrees
Energy at 0K	-2840.576943
Energy at 298.15K	-2840.582127
HF Energy	-2840.576943
Nuclear repulsion energy	327.379875

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1499	1438	131.36
2	A'	1137	1091	257.43
3	A'	785	753	138.31
4	A'	752	721	0.02
5	A'	579	555	11.03
6	A'	381	365	0.06
7	A'	203	195	0.12
8	A"	638	612	10.90
9	A"	126	121	0.51

Atom	x (Å)	y (Å)
Br1	-1.182	-0.458
O2	0.000	0.958
N3	1.472	0.451
O4	2.240	1.424
O5	1.642	-0.775

	Br1	O2	N3	O4	O5
Br1		1.8442	2.8055	3.9052	2.8412
O2	1.8442		1.5573	2.2881	2.3873
N3	2.8055	1.5573		1.2392	1.2379
O4	3.9052	2.2881	1.2392		2.2790
O5	2.8412	2.3873	1.2379	2.2790

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	110.853		O2	N3	O4	109.288
O2	N3	O5	116.855		O4	N3	O5	133.857

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

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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Number	Element	Mulliken
1	Br	0.204
2	O	-0.255
3	N	0.530
4	O	-0.233
5	O	-0.246

	x	y	z	Total
	-1.135	-0.951	0.000	1.481
CHELPG
AIM
ESP

	x	y	z
x	7.574	1.825	0.000
y	1.825	5.274	0.000
z	0.000	0.000	2.049

<r²>	187.175
(<r²>)^1/2	13.681

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

using model chemistry: B3PW91/3-21G*

States and conformations

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