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	hartrees
Energy at 0K	-254.936078
Energy at 298.15K	-254.938550
HF Energy	-254.936078
Nuclear repulsion energy	76.667701

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3419	3265	1.12
2	A'	1345	1285	52.45
3	A'	1043	997	31.57
4	A'	525	501	2.24
5	A"	1493	1427	19.98
6	A"	944	901	182.01

Atom	x (Å)	y (Å)	z (Å)
N1	0.038	0.579	0.000
H2	-0.940	0.883	0.000
F3	0.038	-0.274	1.088
F4	0.038	-0.274	-1.088

	N1	H2	F3	F4
N1		1.0240	1.3822	1.3822
H2	1.0240		1.8651	1.8651
F3	1.3822	1.8651		2.1753
F4	1.3822	1.8651	2.1753

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	F3	100.577		H2	N1	F4	100.577
F3	N1	F4	103.792

All results from a given calculation for NHF₂ (difluoramine)

using model chemistry: wB97X-D/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	0.140
2	H	0.162
3	F	-0.151
4	F	-0.151

	x	y	z	Total
	-1.656	1.029	0.000	1.949
CHELPG
AIM
ESP

	x	y	z
x	1.622	-0.188	0.000
y	-0.188	1.885	0.000
z	0.000	0.000	2.535

<r²>	36.429
(<r²>)^1/2	6.036

All results from a given calculation for NHF2 (difluoramine)

using model chemistry: wB97X-D/Def2TZVPP

States and conformations

All results from a given calculation for NHF₂ (difluoramine)