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	hartrees
Energy at 0K	-7772.673969
Energy at 298.15K	-7772.683360
HF Energy	-7771.724989
Nuclear repulsion energy	831.345391

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	444	427	1.65
2	A₁	225	217	0.35
3	E	648	624	15.60
3	E	648	624	15.61
4	E	160	154	0.11
4	E	160	154	0.11

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.613
Br2	0.000	1.790	-0.041
Br3	1.550	-0.895	-0.041
Br4	-1.550	-0.895	-0.041

	N1	Br2	Br3	Br4
N1		1.9057	1.9057	1.9057
Br2	1.9057		3.1004	3.1004
Br3	1.9057	3.1004		3.1004
Br4	1.9057	3.1004	3.1004

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	108.867		Br2	N1	Br4	108.867
Br3	N1	Br4	108.867

All results from a given calculation for NBr₃ (Nitrogen Tribromide)

using model chemistry: QCISD/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 NBr3 (Nitrogen Tribromide)

using model chemistry: QCISD/aug-cc-pVTZ

States and conformations

All results from a given calculation for NBr₃ (Nitrogen Tribromide)