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	hartrees
Energy at 0K	-1434.789512
Energy at 298.15K	-1434.790628
HF Energy	-1434.565467
Nuclear repulsion energy	263.901099

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	559	537	0.00
2	A₁	349	336	0.35
3	E	619	595	80.72
3	E	619	595	80.69
4	E	255	245	1.19
4	E	255	245	1.19

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.593
Cl2	0.000	1.667	-0.081
Cl3	1.444	-0.834	-0.081
Cl4	-1.444	-0.834	-0.081

	N1	Cl2	Cl3	Cl4
N1		1.7986	1.7986	1.7986
Cl2	1.7986		2.8880	2.8880
Cl3	1.7986	2.8880		2.8880
Cl4	1.7986	2.8880	2.8880

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	N1	Cl3	106.806		Cl2	N1	Cl4	106.806
Cl3	N1	Cl4	106.806

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

using model chemistry: B2PLYP=FULL/aug-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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All results from a given calculation for NCl3 (nitrogen trichloride)

using model chemistry: B2PLYP=FULL/aug-cc-pVDZ

States and conformations

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