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	hartrees
Energy at 0K	-378.691080
Energy at 298.15K
HF Energy	-378.691080
Nuclear repulsion energy	188.302194

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3284	3254	3.73
2	A₁	1336	1323	214.36
3	A₁	928	920	221.05
4	A₁	682	676	85.83
5	A₁	450	446	10.88
6	A₂	114i	113i	0.00
7	E	3408	3377	32.28
7	E	3408	3377	32.28
8	E	1669	1654	29.95
8	E	1669	1654	29.96
9	E	1380	1367	247.37
9	E	1380	1367	247.35
10	E	844	837	12.47
10	E	844	837	12.47
11	E	442	438	0.55
11	E	442	438	0.55
12	E	235	233	14.11
12	E	235	233	14.11

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	1.480
B2	0.000	0.000	-0.214
F3	0.000	1.353	-0.547
F4	1.172	-0.676	-0.547
F5	-1.172	-0.676	-0.547
H6	0.000	-0.977	1.826
H7	0.846	0.489	1.826
H8	-0.846	0.489	1.826

	N1	B2	F3	F4	F5	H6	H7	H8
N1		1.6942	2.4372	2.4372	2.4372	1.0366	1.0366	1.0366
B2	1.6942		1.3933	1.3933	1.3933	2.2624	2.2624	2.2624
F3	2.4372	1.3933		2.3434	2.3434	3.3260	2.6640	2.6640
F4	2.4372	1.3933	2.3434		2.3434	2.6640	2.6640	3.3260
F5	2.4372	1.3933	2.3434	2.3434		2.6640	3.3260	2.6640
H6	1.0366	2.2624	3.3260	2.6640	2.6640		1.6924	1.6924
H7	1.0366	2.2624	2.6640	2.6640	3.3260	1.6924		1.6924
H8	1.0366	2.2624	2.6640	3.3260	2.6640	1.6924	1.6924

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B2	F3	103.827	N1	B2	F4	103.827
N1	B2	F5	103.827	B2	N1	H6	109.516
B2	N1	H7	109.516	B2	N1	H8	109.516
F3	B2	F4	114.477	F3	B2	F5	114.477
F4	B2	F5	114.477	H6	N1	H7	109.427
H6	N1	H8	109.427	H7	N1	H8	109.427

All results from a given calculation for NH₃BF₃ (Amminetrifluoroboron)

using model chemistry: PBEPBEultrafine/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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Number	Element	Mulliken
1	N	-0.788
2	B	0.653
3	F	-0.309
4	F	-0.309
5	F	-0.309
6	H	0.353
7	H	0.353
8	H	0.353

<r²>	101.450
(<r²>)^1/2	10.072

All results from a given calculation for NH3BF3 (Amminetrifluoroboron)

using model chemistry: PBEPBEultrafine/3-21G

States and conformations

All results from a given calculation for NH₃BF₃ (Amminetrifluoroboron)