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	hartrees
Energy at 0K	-353.890003
Energy at 298.15K
HF Energy	-352.711125
Nuclear repulsion energy	135.073898

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.472
F2	0.000	1.215	-0.122
F3	1.052	-0.607	-0.122
F4	-1.052	-0.607	-0.122

	N1	F2	F3	F4
N1		1.3524	1.3524	1.3524
F2	1.3524		2.1038	2.1038
F3	1.3524	2.1038		2.1038
F4	1.3524	2.1038	2.1038

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	N1	F3	102.121		F2	N1	F4	102.121
F3	N1	F4	102.121

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

using model chemistry: CCSD=FULL/aug-cc-pVQZ

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/aug-cc-pVQZ

States and conformations

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