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	hartrees
Energy at 0K	-1433.532316
Energy at 298.15K	-1433.533751
HF Energy	-1432.855939
Nuclear repulsion energy	273.786794

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	586	586	0.61
2	A₁	384	384	0.28
3	E	830	830	25.37
3	E	830	830	25.37
4	E	292	292	0.00
4	E	292	292	0.00

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.513
Cl2	0.000	1.617	-0.070
Cl3	1.400	-0.808	-0.070
Cl4	-1.400	-0.808	-0.070

	N1	Cl2	Cl3	Cl4
N1		1.7186	1.7186	1.7186
Cl2	1.7186		2.7999	2.7999
Cl3	1.7186	2.7999		2.7999
Cl4	1.7186	2.7999	2.7999

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	N1	Cl3	109.094		Cl2	N1	Cl4	109.094
Cl3	N1	Cl4	109.094

All results from a given calculation for NCl₃ (nitrogen trichloride)

using model chemistry: CID/Def2TZVPP

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 NCl3 (nitrogen trichloride)

using model chemistry: CID/Def2TZVPP

States and conformations

All results from a given calculation for NCl₃ (nitrogen trichloride)