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	hartrees
Energy at 0K	-353.554663
Energy at 298.15K
HF Energy	-352.678596
Nuclear repulsion energy	133.524764

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	673	638	4.28
2	A₁	1075	1019	44.65
3	E	513	486	0.03
3	E	513	486	0.03
4	E	987	935	204.52
4	E	987	935	204.52

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.477
F2	0.000	1.229	-0.124
F3	1.064	-0.614	-0.124
F4	-1.064	-0.614	-0.124

	N1	F2	F3	F4
N1		1.3680	1.3680	1.3680
F2	1.3680		2.1285	2.1285
F3	1.3680	2.1285		2.1285
F4	1.3680	2.1285	2.1285

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	N1	F3	102.156		F2	N1	F4	102.156
F3	N1	F4	102.156

All results from a given calculation for NF₃ (Nitrogen trifluoride)

using model chemistry: CCSD=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 NF3 (Nitrogen trifluoride)

using model chemistry: CCSD=FULL/TZVP

States and conformations

All results from a given calculation for NF₃ (Nitrogen trifluoride)