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	hartrees
Energy at 0K	-254.753983
Energy at 298.15K	-254.756405
HF Energy	-254.556941
Nuclear repulsion energy	75.428998

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3388	3388	2.60
2	A'	1334	1334	48.54
3	A'	977	977	28.45
4	A'	492	492	1.67
5	A"	1457	1457	24.37
6	A"	873	873	172.67

Atom	x (Å)	y (Å)	z (Å)
N1	0.038	0.595	0.000
H2	-0.955	0.870	0.000
F3	0.038	-0.280	1.104
F4	0.038	-0.280	-1.104

	N1	H2	F3	F4
N1		1.0304	1.4083	1.4083
H2	1.0304		1.8777	1.8777
F3	1.4083	1.8777		2.2077
F4	1.4083	1.8777	2.2077

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	F3	99.539		H2	N1	F4	99.539
F3	N1	F4	103.223

All results from a given calculation for NHF₂ (difluoramine)

using model chemistry: B2PLYP/daug-cc-pVDZ

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	0.284
2	H	0.209
3	F	-0.246
4	F	-0.246

	x	y	z	Total
	-1.621	1.108	0.000	1.964
CHELPG
AIM
ESP

	x	y	z
x	2.103	-0.145	0.000
y	-0.145	2.413	0.000
z	0.000	0.000	3.075

<r²>	37.534
(<r²>)^1/2	6.126

All results from a given calculation for NHF2 (difluoramine)

using model chemistry: B2PLYP/daug-cc-pVDZ

States and conformations

All results from a given calculation for NHF₂ (difluoramine)