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	hartrees
Energy at 0K	-380.375071
Energy at 298.15K	-380.380247
HF Energy	-379.460267
Nuclear repulsion energy	190.034213

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3497	3497	13.85
2	A₁	1351	1351	219.05
3	A₁	901	901	297.44
4	A₁	684	684	58.00
5	A₁	467	467	16.27
6	A₂	145	145	0.00
7	E	3627	3627	52.17
7	E	3627	3627	52.17
8	E	1656	1656	23.89
8	E	1656	1656	23.89
9	E	1232	1232	391.58
9	E	1232	1232	391.58
10	E	829	829	0.11
10	E	829	829	0.11
11	E	425	425	1.13
11	E	425	425	1.13
12	E	279	279	10.52
12	E	279	279	10.52

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	1.454
B2	0.000	0.000	-0.197
F3	0.000	1.345	-0.541
F4	1.165	-0.673	-0.541
F5	-1.165	-0.673	-0.541
H6	0.000	-0.957	1.806
H7	0.828	0.478	1.806
H8	-0.828	0.478	1.806

	N1	B2	F3	F4	F5	H6	H7	H8
N1		1.6509	2.4066	2.4066	2.4066	1.0191	1.0191	1.0191
B2	1.6509		1.3887	1.3887	1.3887	2.2190	2.2190	2.2190
F3	2.4066	1.3887		2.3301	2.3301	3.2874	2.6355	2.6355
F4	2.4066	1.3887	2.3301		2.3301	2.6355	2.6355	3.2874
F5	2.4066	1.3887	2.3301	2.3301		2.6355	3.2874	2.6355
H6	1.0191	2.2190	3.2874	2.6355	2.6355		1.6570	1.6570
H7	1.0191	2.2190	2.6355	2.6355	3.2874	1.6570		1.6570
H8	1.0191	2.2190	2.6355	3.2874	2.6355	1.6570	1.6570

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B2	F3	104.370	N1	B2	F4	104.370
N1	B2	F5	104.370	B2	N1	H6	110.169
B2	N1	H7	110.169	B2	N1	H8	110.169
F3	B2	F4	114.055	F3	B2	F5	114.055
F4	B2	F5	114.055	H6	N1	H7	108.765
H6	N1	H8	108.765	H7	N1	H8	108.765

All results from a given calculation for NH₃BF₃ (Amminetrifluoroboron)

using model chemistry: MP3=FULL/aug-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: MP3=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₃BF₃ (Amminetrifluoroboron)