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	hartrees
Energy at 0K	-1432.735510
Energy at 298.15K	-1432.737012
HF Energy	-1432.735510
Nuclear repulsion energy	272.026251

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	597	538	0.88
2	A₁	392	354	0.22
3	E	876	791	29.42
3	E	876	791	29.42
4	E	306	276	0.00
4	E	306	276	0.00

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.486
Cl2	0.000	1.632	-0.067
Cl3	1.413	-0.816	-0.067
Cl4	-1.413	-0.816	-0.067

	N1	Cl2	Cl3	Cl4
N1		1.7225	1.7225	1.7225
Cl2	1.7225		2.8260	2.8260
Cl3	1.7225	2.8260		2.8260
Cl4	1.7225	2.8260	2.8260

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	N1	Cl3	110.231		Cl2	N1	Cl4	110.231
Cl3	N1	Cl4	110.231

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

using model chemistry: HF/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	-0.601
2	Cl	0.200
3	Cl	0.200
4	Cl	0.200

	x	y	z	Total
	0.000	0.000	-0.736	0.736
CHELPG
AIM
ESP

<r²>	164.042
(<r²>)^1/2	12.808

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

using model chemistry: HF/6-31G**

States and conformations

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