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	hartrees
Energy at 0K	-255.012009
Energy at 298.15K	-255.014440
HF Energy	-255.012009
Nuclear repulsion energy	75.811900

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3359	3233	0.79
2	A'	1329	1279	48.82
3	A'	996	959	31.46
4	A'	503	484	2.00
5	A"	1463	1409	20.68
6	A"	884	851	178.18

Atom	x (Å)	y (Å)	z (Å)
N1	0.038	0.588	0.000
H2	-0.947	0.878	0.000
F3	0.038	-0.278	1.100
F4	0.038	-0.278	-1.100

	N1	H2	F3	F4
N1		1.0264	1.3997	1.3997
H2	1.0264		1.8748	1.8748
F3	1.3997	1.8748		2.1998
F4	1.3997	1.8748	2.1998

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	F3	100.069		H2	N1	F4	100.069
F3	N1	F4	103.591

All results from a given calculation for NHF₂ (difluoramine)

using model chemistry: B3LYP/Def2TZVPP

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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Number	Element	Mulliken
1	N	0.121
2	H	0.187
3	F	-0.154
4	F	-0.154

	x	y	z	Total
	-1.659	1.070	0.000	1.974
CHELPG
AIM
ESP

	x	y	z
x	1.644	-0.196	0.000
y	-0.196	1.924	0.000
z	0.000	0.000	2.622

<r²>	37.133
(<r²>)^1/2	6.094

All results from a given calculation for NHF2 (difluoramine)

using model chemistry: B3LYP/Def2TZVPP

States and conformations

All results from a given calculation for NHF₂ (difluoramine)