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	hartrees
Energy at 0K	-254.879465
Energy at 298.15K	-254.881822
HF Energy	-254.879465
Nuclear repulsion energy	74.590033

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3232	3185	0.90
2	A'	1298	1279	37.50
3	A'	929	915	36.98
4	A'	469	463	1.78
5	A"	1395	1375	15.24
6	A"	779	768	199.14

Atom	x (Å)	y (Å)	z (Å)
N1	0.039	0.595	0.000
H2	-0.963	0.861	0.000
F3	0.039	-0.279	1.122
F4	0.039	-0.279	-1.122

	N1	H2	F3	F4
N1		1.0360	1.4226	1.4226
H2	1.0360		1.8873	1.8873
F3	1.4226	1.8873		2.2442
F4	1.4226	1.8873	2.2442

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	F3	99.070		H2	N1	F4	99.070
F3	N1	F4	104.135

All results from a given calculation for NHF₂ (difluoramine)

using model chemistry: B97D3/TZVP

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	0.089
2	H	0.227
3	F	-0.158
4	F	-0.158

	x	y	z	Total
	-1.714	1.107	0.000	2.040
CHELPG
AIM
ESP

	x	y	z
x	1.555	-0.219	0.000
y	-0.219	1.809	0.000
z	0.000	0.000	2.628

<r²>	38.120
(<r²>)^1/2	6.174

All results from a given calculation for NHF2 (difluoramine)

using model chemistry: B97D3/TZVP

States and conformations

All results from a given calculation for NHF₂ (difluoramine)