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	hartrees
Energy at 0K	-381.061123
Energy at 298.15K	-381.066173
HF Energy	-381.061123
Nuclear repulsion energy	192.129933

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3514	3365	15.18
2	A₁	1301	1246	196.72
3	A₁	906	867	207.05
4	A₁	674	645	139.43
5	A₁	436	417	0.01
6	A₂	103	98	0.00
7	E	3645	3491	49.40
7	E	3645	3491	49.39
8	E	1650	1580	24.84
8	E	1650	1580	24.85
9	E	1313	1257	317.29
9	E	1313	1257	317.61
10	E	790	756	3.36
10	E	790	756	3.34
11	E	451	432	0.73
11	E	451	432	0.73
12	E	266	255	11.08
12	E	266	255	11.05

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	1.469
B2	0.000	0.000	-0.225
F3	0.000	1.319	-0.541
F4	1.142	-0.660	-0.541
F5	-1.142	-0.660	-0.541
H6	0.000	-0.951	1.819
H7	0.824	0.475	1.819
H8	-0.824	0.475	1.819

	N1	B2	F3	F4	F5	H6	H7	H8
N1		1.6946	2.4044	2.4044	2.4044	1.0133	1.0133	1.0133
B2	1.6946		1.3563	1.3563	1.3563	2.2548	2.2548	2.2548
F3	2.4044	1.3563		2.2846	2.2846	3.2747	2.6383	2.6383
F4	2.4044	1.3563	2.2846		2.2846	2.6383	2.6383	3.2747
F5	2.4044	1.3563	2.2846	2.2846		2.6383	3.2747	2.6383
H6	1.0133	2.2548	3.2747	2.6383	2.6383		1.6472	1.6472
H7	1.0133	2.2548	2.6383	2.6383	3.2747	1.6472		1.6472
H8	1.0133	2.2548	2.6383	3.2747	2.6383	1.6472	1.6472

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B2	F3	103.464	N1	B2	F4	103.464
N1	B2	F5	103.464	B2	N1	H6	110.200
B2	N1	H7	110.200	B2	N1	H8	110.200
F3	B2	F4	114.752	F3	B2	F5	114.752
F4	B2	F5	114.752	H6	N1	H7	108.732
H6	N1	H8	108.732	H7	N1	H8	108.732

All results from a given calculation for NH₃BF₃ (Amminetrifluoroboron)

using model chemistry: B1B95/6-31G(2df,p)

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	-0.534
2	B	-0.110
3	F	-0.096
4	F	-0.096
5	F	-0.096
6	H	0.311
7	H	0.311
8	H	0.311

	x	y	z
x	3.287	0.000	0.000
y	0.000	3.287	0.001
z	0.000	0.001	3.492

<r²>	98.361
(<r²>)^1/2	9.918

All results from a given calculation for NH3BF3 (Amminetrifluoroboron)

using model chemistry: B1B95/6-31G(2df,p)

States and conformations

All results from a given calculation for NH₃BF₃ (Amminetrifluoroboron)