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	hartrees
Energy at 0K	-353.433371
Energy at 298.15K
HF Energy	-352.581858
Nuclear repulsion energy	131.341800

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	622	603
2	A₁	1003	973
3	E	474	460
3	E	474	460
4	E	879	853
4	E	879	853

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.495
F2	0.000	1.247	-0.128
F3	1.080	-0.623	-0.128
F4	-1.080	-0.623	-0.128

	N1	F2	F3	F4
N1		1.3935	1.3935	1.3935
F2	1.3935		2.1590	2.1590
F3	1.3935	2.1590		2.1590
F4	1.3935	2.1590	2.1590

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	N1	F3	101.551		F2	N1	F4	101.551
F3	N1	F4	101.551

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

using model chemistry: QCISD(T)=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 NF3 (Nitrogen trifluoride)

using model chemistry: QCISD(T)=FULL/aug-cc-pVDZ

States and conformations

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