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	hartrees
Energy at 0K	-1434.807871
Energy at 298.15K	-1434.808985
HF Energy	-1434.571748
Nuclear repulsion energy	263.716374

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	542	518	0.42
2	A₁	349	333	0.31
3	E	634	605	90.96
3	E	634	605	90.95
4	E	253	242	1.05
4	E	253	242	1.05

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.568
Cl2	0.000	1.673	-0.078
Cl3	1.449	-0.836	-0.078
Cl4	-1.449	-0.836	-0.078

	N1	Cl2	Cl3	Cl4
N1		1.7930	1.7930	1.7930
Cl2	1.7930		2.8973	2.8973
Cl3	1.7930	2.8973		2.8973
Cl4	1.7930	2.8973	2.8973

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	N1	Cl3	107.794		Cl2	N1	Cl4	107.794
Cl3	N1	Cl4	107.794

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

using model chemistry: B2PLYP=FULL/TZVP

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/TZVP

States and conformations

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