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	hartrees
Energy at 0K	-353.467256
Energy at 298.15K
HF Energy	-352.557371
Nuclear repulsion energy	134.901766

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	690	650	2.75
2	A₁	1114	1049	28.18
3	E	523	493	0.00
3	E	523	493	0.00
4	E	1042	981	166.17
4	E	1042	981	166.17

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.475
F2	0.000	1.216	-0.123
F3	1.053	-0.608	-0.123
F4	-1.053	-0.608	-0.123

	N1	F2	F3	F4
N1		1.3546	1.3546	1.3546
F2	1.3546		2.1056	2.1056
F3	1.3546	2.1056		2.1056
F4	1.3546	2.1056	2.1056

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	N1	F3	102.005		F2	N1	F4	102.005
F3	N1	F4	102.005

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

using model chemistry: CCSD=FULL/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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