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	hartrees
Energy at 0K	-380.191809
Energy at 298.15K	-380.197014
HF Energy	-379.410813
Nuclear repulsion energy	190.511855

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3492	3290	22.45
2	A₁	1404	1323	252.89
3	A₁	912	859	270.61
4	A₁	692	652	101.74
5	A₁	458	431	2.59
6	A₂	154	146	0.00
7	E	3635	3425	57.22
7	E	3635	3425	57.22
8	E	1721	1621	34.44
8	E	1721	1621	34.44
9	E	1315	1239	364.16
9	E	1315	1239	364.16
10	E	841	792	2.35
10	E	841	792	2.35
11	E	453	427	0.70
11	E	453	427	0.70
12	E	273	258	12.07
12	E	273	258	12.07

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	1.462
B2	0.000	0.000	-0.216
F3	0.000	1.337	-0.541
F4	1.158	-0.669	-0.541
F5	-1.158	-0.669	-0.541
H6	0.000	-0.956	1.819
H7	0.828	0.478	1.819
H8	-0.828	0.478	1.819

	N1	B2	F3	F4	F5	H6	H7	H8
N1		1.6782	2.4085	2.4085	2.4085	1.0203	1.0203	1.0203
B2	1.6782		1.3763	1.3763	1.3763	2.2483	2.2483	2.2483
F3	2.4085	1.3763		2.3164	2.3164	3.2906	2.6444	2.6444
F4	2.4085	1.3763	2.3164		2.3164	2.6444	2.6444	3.2906
F5	2.4085	1.3763	2.3164	2.3164		2.6444	3.2906	2.6444
H6	1.0203	2.2483	3.2906	2.6444	2.6444		1.6555	1.6555
H7	1.0203	2.2483	2.6444	2.6444	3.2906	1.6555		1.6555
H8	1.0203	2.2483	2.6444	3.2906	2.6444	1.6555	1.6555

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B2	F3	103.656	N1	B2	F4	103.656
N1	B2	F5	103.656	B2	N1	H6	110.471
B2	N1	H7	110.471	B2	N1	H8	110.471
F3	B2	F4	114.607	F3	B2	F5	114.607
F4	B2	F5	114.607	H6	N1	H7	108.453
H6	N1	H8	108.453	H7	N1	H8	108.453

All results from a given calculation for NH₃BF₃ (Amminetrifluoroboron)

using model chemistry: MP2=FULL/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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All results from a given calculation for NH3BF3 (Amminetrifluoroboron)

using model chemistry: MP2=FULL/6-31G*

States and conformations

All results from a given calculation for NH₃BF₃ (Amminetrifluoroboron)