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	hartrees
Energy at 0K	-251.120776
Energy at 298.15K	-251.123183
HF Energy	-251.120776
Nuclear repulsion energy	74.046982

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3226	2849	44.15
2	A'	1327	1172	31.10
3	A'	1196	1056	2.07
4	A'	485	429	1.91
5	A"	1443	1275	2.56
6	A"	1178	1041	39.10

Atom	x (Å)	y (Å)	z (Å)
N1	0.041	0.605	0.000
H2	-1.013	0.928	0.000
F3	0.041	-0.287	1.117
F4	0.041	-0.287	-1.117

	N1	H2	F3	F4
N1		1.1024	1.4297	1.4297
H2	1.1024		1.9586	1.9586
F3	1.4297	1.9586		2.2340
F4	1.4297	1.9586	2.2340

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	F3	100.540		H2	N1	F4	100.540
F3	N1	F4	102.752

All results from a given calculation for NHF₂ (difluoramine)

using model chemistry: HSEh1PBE/STO-3G

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	-0.071
2	H	0.164
3	F	-0.046
4	F	-0.046

	x	y	z	Total
	-1.411	0.086	0.000	1.414
CHELPG
AIM
ESP

	x	y	z
x	0.686	-0.360	0.000
y	-0.360	0.786	0.000
z	0.000	0.000	1.430

<r²>	36.874
(<r²>)^1/2	6.072

All results from a given calculation for NHF2 (difluoramine)

using model chemistry: HSEh1PBE/STO-3G

States and conformations

All results from a given calculation for NHF₂ (difluoramine)