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	hartrees
Energy at 0K	-1435.117033
Energy at 298.15K	-1435.118142
HF Energy	-1435.117033
Nuclear repulsion energy	265.106693

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	545	525	0.34
2	A₁	357	343	0.29
3	E	614	591	124.13
3	E	614	591	124.13
4	E	260	250	2.34
4	E	260	250	2.34

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.550
Cl2	0.000	1.666	-0.076
Cl3	1.443	-0.833	-0.076
Cl4	-1.443	-0.833	-0.076

	N1	Cl2	Cl3	Cl4
N1		1.7799	1.7799	1.7799
Cl2	1.7799		2.8861	2.8861
Cl3	1.7799	2.8861		2.8861
Cl4	1.7799	2.8861	2.8861

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	N1	Cl3	108.332		Cl2	N1	Cl4	108.332
Cl3	N1	Cl4	108.332

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

using model chemistry: B3PW91/6-311G*

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	-0.412
2	Cl	0.137
3	Cl	0.137
4	Cl	0.137

	x	y	z	Total
	0.000	0.000	-0.711	0.711
CHELPG
AIM
ESP

<r²>	170.768
(<r²>)^1/2	13.068

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

using model chemistry: B3PW91/6-311G*

States and conformations

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