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	hartrees
Energy at 0K	-1435.280952
Energy at 298.15K	-1435.282009
HF Energy	-1435.280952
Nuclear repulsion energy	262.203562

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	556	539	0.83
2	A₁	344	334	0.25
3	E	592	574	116.76
3	E	592	574	116.79
4	E	249	242	2.19
4	E	249	242	2.19

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.579
Cl2	0.000	1.681	-0.080
Cl3	1.456	-0.841	-0.080
Cl4	-1.456	-0.841	-0.080

	N1	Cl2	Cl3	Cl4
N1		1.8056	1.8056	1.8056
Cl2	1.8056		2.9116	2.9116
Cl3	1.8056	2.9116		2.9116
Cl4	1.8056	2.9116	2.9116

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	N1	Cl3	107.469		Cl2	N1	Cl4	107.469
Cl3	N1	Cl4	107.469

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

using model chemistry: B3LYP/cc-pVDZ

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	-0.279
2	Cl	0.093
3	Cl	0.093
4	Cl	0.093

	x	y	z	Total
	0.000	0.000	-0.570	0.570
CHELPG
AIM
ESP

<r²>	172.866
(<r²>)^1/2	13.148

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

using model chemistry: B3LYP/cc-pVDZ

States and conformations

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