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	hartrees
Energy at 0K	-380.788963
Energy at 298.15K	-380.794084
HF Energy	-380.788963
Nuclear repulsion energy	191.064480

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3495	3324	16.56
2	A₁	1368	1301	232.25
3	A₁	901	857	236.21
4	A₁	679	646	120.96
5	A₁	441	420	0.53
6	A₂	142	135	0.00
7	E	3628	3450	47.31
7	E	3628	3450	47.29
8	E	1700	1617	31.86
8	E	1700	1617	31.86
9	E	1313	1248	351.35
9	E	1313	1248	351.38
10	E	818	778	3.59
10	E	818	778	3.59
11	E	450	428	0.45
11	E	450	428	0.45
12	E	266	253	12.01
12	E	266	253	12.01

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	1.468
B2	0.000	0.000	-0.223
F3	0.000	1.330	-0.542
F4	1.152	-0.665	-0.542
F5	-1.152	-0.665	-0.542
H6	0.000	-0.954	1.824
H7	0.826	0.477	1.824
H8	-0.826	0.477	1.824

	N1	B2	F3	F4	F5	H6	H7	H8
N1		1.6912	2.4098	2.4098	2.4098	1.0181	1.0181	1.0181
B2	1.6912		1.3673	1.3673	1.3673	2.2587	2.2587	2.2587
F3	2.4098	1.3673		2.3031	2.3031	3.2882	2.6472	2.6472
F4	2.4098	1.3673	2.3031		2.3031	2.6472	2.6472	3.2882
F5	2.4098	1.3673	2.3031	2.3031		2.6472	3.2882	2.6472
H6	1.0181	2.2587	3.2882	2.6472	2.6472		1.6519	1.6519
H7	1.0181	2.2587	2.6472	2.6472	3.2882	1.6519		1.6519
H8	1.0181	2.2587	2.6472	3.2882	2.6472	1.6519	1.6519

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B2	F3	103.475	N1	B2	F4	103.475
N1	B2	F5	103.475	B2	N1	H6	110.483
B2	N1	H7	110.483	B2	N1	H8	110.483
F3	B2	F4	114.743	F3	B2	F5	114.743
F4	B2	F5	114.743	H6	N1	H7	108.441
H6	N1	H8	108.441	H7	N1	H8	108.440

All results from a given calculation for NH₃BF₃ (Amminetrifluoroboron)

using model chemistry: HSEh1PBE/6-31G*

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	-0.903
2	B	0.688
3	F	-0.320
4	F	-0.320
5	F	-0.320
6	H	0.392
7	H	0.392
8	H	0.392

<r²>	99.174
(<r²>)^1/2	9.959

All results from a given calculation for NH3BF3 (Amminetrifluoroboron)

using model chemistry: HSEh1PBE/6-31G*

States and conformations

All results from a given calculation for NH₃BF₃ (Amminetrifluoroboron)