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	hartrees
Energy at 0K	-1428.758310
Energy at 298.15K	-1428.759326
HF Energy	-1428.758310
Nuclear repulsion energy	261.704690

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	515	492	2.94
2	A₁	342	327	0.26
3	E	599	572	114.83
3	E	599	572	114.87
4	E	247	236	1.32
4	E	247	236	1.32

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.586
Cl2	0.000	1.683	-0.080
Cl3	1.458	-0.842	-0.080
Cl4	-1.458	-0.842	-0.080

	N1	Cl2	Cl3	Cl4
N1		1.8104	1.8104	1.8104
Cl2	1.8104		2.9157	2.9157
Cl3	1.8104	2.9157		2.9157
Cl4	1.8104	2.9157	2.9157

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	N1	Cl3	107.265		Cl2	N1	Cl4	107.265
Cl3	N1	Cl4	107.265

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

using model chemistry: B1B95/3-21G*

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	-0.359
2	Cl	0.120
3	Cl	0.120
4	Cl	0.120

	x	y	z	Total
	0.000	0.000	-0.715	0.715
CHELPG
AIM
ESP

<r²>	173.652
(<r²>)^1/2	13.178

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

using model chemistry: B1B95/3-21G*

States and conformations

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