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	hartrees
Energy at 0K	-254.996083
Energy at 298.15K	-254.998520
HF Energy	-254.996083
Nuclear repulsion energy	75.779775

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3359	3247	0.59
2	A'	1330	1285	50.26
3	A'	999	966	29.25
4	A'	502	485	2.07
5	A"	1462	1413	20.67
6	A"	891	861	167.49

Atom	x (Å)	y (Å)	z (Å)
N1	0.038	0.588	0.000
H2	-0.947	0.876	0.000
F3	0.038	-0.278	1.101
F4	0.038	-0.278	-1.101

	N1	H2	F3	F4
N1		1.0261	1.4004	1.4004
H2	1.0261		1.8742	1.8742
F3	1.4004	1.8742		2.2011
F4	1.4004	1.8742	2.2011

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	F3	99.996		H2	N1	F4	99.996
F3	N1	F4	103.606

All results from a given calculation for NHF₂ (difluoramine)

using model chemistry: B3LYP/cc-pVTZ

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	0.198
2	H	0.149
3	F	-0.174
4	F	-0.174

	x	y	z	Total
	-1.637	1.052	0.000	1.946
CHELPG
AIM
ESP

	x	y	z
x	1.528	-0.207	0.000
y	-0.207	1.803	0.000
z	0.000	0.000	2.503

<r²>	37.050
(<r²>)^1/2	6.087

All results from a given calculation for NHF2 (difluoramine)

using model chemistry: B3LYP/cc-pVTZ

States and conformations

All results from a given calculation for NHF₂ (difluoramine)