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	hartrees
Energy at 0K	-2854.025515
Energy at 298.15K	-2854.030763
HF Energy	-2853.592253
Nuclear repulsion energy	332.787023

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1762	1691	305.70
2	A'	1295	1242	266.98
3	A'	795	763	183.25
4	A'	750	720	14.41
5	A'	526	505	126.87
6	A'	391	375	11.83
7	A'	208	200	0.09
8	A"	727	698	8.11
9	A"	124	119	0.27

Atom	x (Å)	y (Å)
Br1	-1.162	-0.499
O2	0.000	0.910
N3	1.447	0.506
O4	2.124	1.488
O5	1.694	-0.660

	Br1	O2	N3	O4	O5
Br1		1.8265	2.7963	3.8407	2.8608
O2	1.8265		1.5029	2.2017	2.3097
N3	2.7963	1.5029		1.1934	1.1913
O4	3.8407	2.2017	1.1934		2.1910
O5	2.8608	2.3097	1.1913	2.1910

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	113.902		O2	N3	O4	108.949
O2	N3	O5	117.564		O4	N3	O5	133.487

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

using model chemistry: B2PLYP=FULL/aug-cc-pVTZ

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

using model chemistry: B2PLYP=FULL/aug-cc-pVTZ

States and conformations

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