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	hartrees
Energy at 0K	-380.826124
Energy at 298.15K	-380.831252
HF Energy	-380.573727
Nuclear repulsion energy	190.658261

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3482	3303	17.41
2	A₁	1386	1315	230.97
3	A₁	896	850	241.57
4	A₁	676	641	129.98
5	A₁	439	416	0.10
6	A₂	141	134	0.00
7	E	3613	3426	44.71
7	E	3613	3426	44.70
8	E	1713	1625	31.06
8	E	1713	1625	31.05
9	E	1312	1245	352.21
9	E	1312	1245	352.28
10	E	823	781	3.16
10	E	823	781	3.16
11	E	452	429	0.58
11	E	452	429	0.58
12	E	268	254	11.71
12	E	268	254	11.71

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	1.471
B2	0.000	0.000	-0.224
F3	0.000	1.333	-0.543
F4	1.154	-0.666	-0.543
F5	-1.154	-0.666	-0.543
H6	0.000	-0.954	1.828
H7	0.826	0.477	1.828
H8	-0.826	0.477	1.828

	N1	B2	F3	F4	F5	H6	H7	H8
N1		1.6953	2.4150	2.4150	2.4150	1.0189	1.0189	1.0189
B2	1.6953		1.3703	1.3703	1.3703	2.2636	2.2636	2.2636
F3	2.4150	1.3703		2.3084	2.3084	3.2944	2.6530	2.6530
F4	2.4150	1.3703	2.3084		2.3084	2.6530	2.6530	3.2944
F5	2.4150	1.3703	2.3084	2.3084		2.6530	3.2944	2.6530
H6	1.0189	2.2636	3.2944	2.6530	2.6530		1.6527	1.6527
H7	1.0189	2.2636	2.6530	2.6530	3.2944	1.6527		1.6527
H8	1.0189	2.2636	2.6530	3.2944	2.6530	1.6527	1.6527

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B2	F3	103.447	N1	B2	F4	103.447
N1	B2	F5	103.447	B2	N1	H6	110.534
B2	N1	H7	110.534	B2	N1	H8	110.534
F3	B2	F4	114.764	F3	B2	F5	114.764
F4	B2	F5	114.764	H6	N1	H7	108.388
H6	N1	H8	108.388	H7	N1	H8	108.388

All results from a given calculation for NH₃BF₃ (Amminetrifluoroboron)

using model chemistry: B2PLYP=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: B2PLYP=FULL/6-31G*

States and conformations

All results from a given calculation for NH₃BF₃ (Amminetrifluoroboron)