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	hartrees
Energy at 0K	-1435.172104
Energy at 298.15K	-1435.172858
HF Energy	-1435.172104
Nuclear repulsion energy	255.771087

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	546	543	0.15
2	A₁	307	305	0.49
3	E	479	477	172.99
3	E	479	477	173.02
4	E	218	217	9.01
4	E	218	217	9.00

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.589
Cl2	0.000	1.724	-0.081
Cl3	1.493	-0.862	-0.081
Cl4	-1.493	-0.862	-0.081

	N1	Cl2	Cl3	Cl4
N1		1.8495	1.8495	1.8495
Cl2	1.8495		2.9864	2.9864
Cl3	1.8495	2.9864		2.9864
Cl4	1.8495	2.9864	2.9864

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	N1	Cl3	107.672		Cl2	N1	Cl4	107.672
Cl3	N1	Cl4	107.672

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

using model chemistry: BLYP/6-31+G**

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	-0.239
2	Cl	0.080
3	Cl	0.080
4	Cl	0.080

	x	y	z	Total
	0.000	0.000	-0.374	0.374
CHELPG
AIM
ESP

	x	y	z
x	9.954	0.000	0.000
y	0.000	9.954	-0.000
z	0.000	-0.000	5.007

<r²>	181.232
(<r²>)^1/2	13.462

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

using model chemistry: BLYP/6-31+G**

States and conformations

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