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	hartrees
Energy at 0K	-380.877420
Energy at 298.15K
HF Energy	-380.611796
Nuclear repulsion energy	190.310541

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3494	3494	14.30
2	A₁	1370	1370	230.77
3	A₁	885	885	289.90
4	A₁	678	678	100.42
5	A₁	453	453	3.99
6	A₂	146	146	0.00
7	E	3627	3627	57.76
7	E	3627	3627	57.77
8	E	1679	1679	32.35
8	E	1679	1679	32.35
9	E	1233	1233	424.16
9	E	1233	1233	424.20
10	E	825	825	0.00
10	E	825	825	0.00
11	E	439	439	1.14
11	E	439	439	1.14
12	E	278	278	10.37
12	E	278	278	10.37

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	1.465
B2	0.000	0.000	-0.206
F3	0.000	1.339	-0.544
F4	1.159	-0.669	-0.544
F5	-1.159	-0.669	-0.544
H6	0.000	-0.954	1.818
H7	0.826	0.477	1.818
H8	-0.826	0.477	1.818

	N1	B2	F3	F4	F5	H6	H7	H8
N1		1.6704	2.4135	2.4135	2.4135	1.0172	1.0172	1.0172
B2	1.6704		1.3806	1.3806	1.3806	2.2369	2.2369	2.2369
F3	2.4135	1.3806		2.3185	2.3185	3.2911	2.6458	2.6458
F4	2.4135	1.3806	2.3185		2.3185	2.6458	2.6458	3.2911
F5	2.4135	1.3806	2.3185	2.3185		2.6458	3.2911	2.6458
H6	1.0172	2.2369	3.2911	2.6458	2.6458		1.6524	1.6524
H7	1.0172	2.2369	2.6458	2.6458	3.2911	1.6524		1.6524
H8	1.0172	2.2369	2.6458	3.2911	2.6458	1.6524	1.6524

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B2	F3	104.167	N1	B2	F4	104.167
N1	B2	F5	104.167	B2	N1	H6	110.301
B2	N1	H7	110.301	B2	N1	H8	110.301
F3	B2	F4	114.214	F3	B2	F5	114.214
F4	B2	F5	114.214	H6	N1	H7	108.629
H6	N1	H8	108.629	H7	N1	H8	108.629

All results from a given calculation for NH₃BF₃ (Amminetrifluoroboron)

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

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=FULLultrafine/6-31+G**

States and conformations

All results from a given calculation for NH₃BF₃ (Amminetrifluoroboron)