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	hartrees
Energy at 0K	-1435.168124
Energy at 298.15K	-1435.168787
HF Energy	-1435.168124
Nuclear repulsion energy	244.217618

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	529	529	3.63
2	A₁	276	276	0.30
3	E	489	489	173.04
3	E	489	489	173.12
4	E	199	199	3.43
4	E	199	199	3.43

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.628
Cl2	0.000	1.804	-0.086
Cl3	1.562	-0.902	-0.086
Cl4	-1.562	-0.902	-0.086

	N1	Cl2	Cl3	Cl4
N1		1.9400	1.9400	1.9400
Cl2	1.9400		3.1245	3.1245
Cl3	1.9400	3.1245		3.1245
Cl4	1.9400	3.1245	3.1245

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	N1	Cl3	107.270		Cl2	N1	Cl4	107.270
Cl3	N1	Cl4	107.270

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

using model chemistry: B97D3/6-31G

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	N	-0.362
2	Cl	0.121
3	Cl	0.121
4	Cl	0.121

	x	y	z	Total
	0.000	0.000	-0.376	0.376
CHELPG
AIM
ESP

	x	y	z
x	9.182	0.000	0.000
y	0.000	9.183	-0.000
z	0.000	-0.000	2.658

<r²>	195.733
(<r²>)^1/2	13.990

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

using model chemistry: B97D3/6-31G

States and conformations

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