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	hartrees
Energy at 0K	-380.309569
Energy at 298.15K	-380.314677
HF Energy	-379.431432
Nuclear repulsion energy	189.726552

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3470	3328
2	A₁	1320	1265
3	A₁	882	846
4	A₁	676	648
5	A₁	450	432
6	A₂	122	117
7	E	3608	3460
7	E	3608	3460
8	E	1643	1576
8	E	1642	1575
9	E	1282	1229
9	E	1282	1229
10	E	798	766
10	E	798	766
11	E	445	426
11	E	444	426
12	E	272	261
12	E	272	261

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	1.465
B2	0.000	0.000	-0.216
F3	0.000	1.344	-0.543
F4	1.164	-0.672	-0.543
F5	-1.164	-0.672	-0.543
H6	0.000	-0.958	1.827
H7	0.830	0.479	1.827
H8	-0.830	0.479	1.827

	N1	B2	F3	F4	F5	H6	H7	H8
N1		1.6815	2.4160	2.4160	2.4160	1.0244	1.0244	1.0244
B2	1.6815		1.3828	1.3828	1.3828	2.2571	2.2571	2.2571
F3	2.4160	1.3828		2.3274	2.3274	3.3040	2.6558	2.6558
F4	2.4160	1.3828	2.3274		2.3274	2.6558	2.6558	3.3040
F5	2.4160	1.3828	2.3274	2.3274		2.6558	3.3040	2.6558
H6	1.0244	2.2571	3.3040	2.6558	2.6558		1.6598	1.6598
H7	1.0244	2.2571	2.6558	2.6558	3.3040	1.6598		1.6598
H8	1.0244	2.2571	2.6558	3.3040	2.6558	1.6598	1.6598

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B2	F3	103.652	N1	B2	F4	103.652
N1	B2	F5	103.652	B2	N1	H6	110.701
B2	N1	H7	110.701	B2	N1	H8	110.701
F3	B2	F4	114.610	F3	B2	F5	114.610
F4	B2	F5	114.610	H6	N1	H7	108.214
H6	N1	H8	108.214	H7	N1	H8	108.214

All results from a given calculation for NH₃BF₃ (Amminetrifluoroboron)

using model chemistry: QCISD(T)=FULL/cc-pVDZ

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: QCISD(T)=FULL/cc-pVDZ

States and conformations

All results from a given calculation for NH₃BF₃ (Amminetrifluoroboron)