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	hartrees
Energy at 0K	-353.395561
Energy at 298.15K
HF Energy	-352.584380
Nuclear repulsion energy	132.075306

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	1025	994	33.74	7.85	0.01	0.01
2	A₁	645	625	1.41	3.98	0.13	0.23
3	E	886	858	211.90	3.95	0.75	0.86
3	E	886	858	211.90	3.95	0.75	0.86
4	E	486	471	1.27	1.62	0.75	0.86
4	E	486	471	1.27	1.62	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.491
F2	0.000	1.240	-0.127
F3	1.074	-0.620	-0.127
F4	-1.074	-0.620	-0.127

	N1	F2	F3	F4
N1		1.3854	1.3854	1.3854
F2	1.3854		2.1474	2.1474
F3	1.3854	2.1474		2.1474
F4	1.3854	2.1474	2.1474

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	N1	F3	101.617		F2	N1	F4	101.617
F3	N1	F4	101.617

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

using model chemistry: MP2=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: MP2=FULL/aug-cc-pVDZ

States and conformations

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