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	hartrees
Energy at 0K	-378.717130
Energy at 298.15K
HF Energy	-378.543807
Nuclear repulsion energy	189.279050

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3397	3397	12.84
2	A₁	1426	1426	255.90
3	A₁	958	958	266.97
4	A₁	704	704	119.03
5	A₁	469	469	11.37
6	A₂	97i	97i	0.00
7	E	3514	3514	46.79
7	E	3514	3514	46.78
8	E	1739	1739	34.89
8	E	1739	1739	34.88
9	E	1432	1432	292.44
9	E	1432	1432	292.48
10	E	885	885	12.86
10	E	885	885	12.86
11	E	460	460	1.79
11	E	460	460	1.79
12	E	253	253	13.01
12	E	253	253	13.01

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	1.478
B2	0.000	0.000	-0.213
F3	0.000	1.345	-0.546
F4	1.165	-0.672	-0.546
F5	-1.165	-0.672	-0.546
H6	0.000	-0.968	1.819
H7	0.838	0.484	1.819
H8	-0.838	0.484	1.819

	N1	B2	F3	F4	F5	H6	H7	H8
N1		1.6912	2.4298	2.4298	2.4298	1.0258	1.0258	1.0258
B2	1.6912		1.3854	1.3854	1.3854	2.2506	2.2506	2.2506
F3	2.4298	1.3854		2.3295	2.3295	3.3073	2.6522	2.6522
F4	2.4298	1.3854	2.3295		2.3295	2.6522	2.6522	3.3073
F5	2.4298	1.3854	2.3295	2.3295		2.6522	3.3073	2.6522
H6	1.0258	2.2506	3.3073	2.6522	2.6522		1.6759	1.6759
H7	1.0258	2.2506	2.6522	2.6522	3.3073	1.6759		1.6759
H8	1.0258	2.2506	2.6522	3.3073	2.6522	1.6759	1.6759

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B2	F3	103.885	N1	B2	F4	103.885
N1	B2	F5	103.885	B2	N1	H6	109.402
B2	N1	H7	109.402	B2	N1	H8	109.402
F3	B2	F4	114.432	F3	B2	F5	114.432
F4	B2	F5	114.432	H6	N1	H7	109.540
H6	N1	H8	109.540	H7	N1	H8	109.540

All results from a given calculation for NH₃BF₃ (Amminetrifluoroboron)

using model chemistry: B2PLYP=FULL/3-21G*

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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All results from a given calculation for NH3BF3 (Amminetrifluoroboron)

using model chemistry: B2PLYP=FULL/3-21G*

States and conformations

All results from a given calculation for NH₃BF₃ (Amminetrifluoroboron)