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	hartrees
Energy at 0K	-155.620519
Energy at 298.15K	-155.623179
Nuclear repulsion energy	35.571193

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3285	3263	3.55
2	A'	1566	1555	24.63
3	A'	1239	1230	67.12
4	A'	903	897	24.49
5	A"	3382	3359	0.00
6	A"	1293	1284	0.98

Atom	x (Å)	y (Å)	z (Å)
N1	-0.067	0.700	0.000
F2	-0.067	-0.743	0.000
H3	0.538	0.894	0.812
H4	0.538	0.894	-0.812

	N1	F2	H3	H4
N1		1.4425	1.0312	1.0312
F2	1.4425		1.9247	1.9247
H3	1.0312	1.9247		1.6244
H4	1.0312	1.9247	1.6244

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	N1	H3	100.863		F2	N1	H4	100.863
H3	N1	H4	103.930

All results from a given calculation for NH₂F (monofluoroamine)

using model chemistry: PBEPBE/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	-0.069
2	F	-0.208
3	H	0.138
4	H	0.138

	x	y	z	Total
	1.771	1.350	0.000	2.227
CHELPG
AIM
ESP

	x	y	z
x	1.553	0.191	0.000
y	0.191	2.169	0.000
z	0.000	0.000	1.746

<r²>	18.860
(<r²>)^1/2	4.343

All results from a given calculation for NH2F (monofluoroamine)

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

All results from a given calculation for NH₂F (monofluoroamine)