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	hartrees
Energy at 0K	-380.401043
Energy at 298.15K	-380.406138
HF Energy	-379.458596
Nuclear repulsion energy	188.759350

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3458	3378
2	A₁	1409	1376
3	A₁	905	884
4	A₁	688	672
5	A₁	456	445
6	A₂	145	141
7	E	3591	3508
7	E	3591	3508
8	E	1715	1676
8	E	1714	1675
9	E	1308	1278
9	E	1308	1278
10	E	837	818
10	E	837	818
11	E	449	439
11	E	449	439
12	E	270	264
12	E	270	264

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	1.459
B2	0.000	0.000	-0.197
F3	0.000	1.357	-0.543
F4	1.175	-0.678	-0.543
F5	-1.175	-0.678	-0.543
H6	0.000	-0.960	1.814
H7	0.831	0.480	1.814
H8	-0.831	0.480	1.814

	N1	B2	F3	F4	F5	H6	H7	H8
N1		1.6556	2.4186	2.4186	2.4186	1.0232	1.0232	1.0232
B2	1.6556		1.4004	1.4004	1.4004	2.2277	2.2277	2.2277
F3	2.4186	1.4004		2.3502	2.3502	3.3047	2.6485	2.6485
F4	2.4186	1.4004	2.3502		2.3502	2.6485	2.6485	3.3047
F5	2.4186	1.4004	2.3502	2.3502		2.6485	3.3047	2.6485
H6	1.0232	2.2277	3.3047	2.6485	2.6485		1.6623	1.6623
H7	1.0232	2.2277	2.6485	2.6485	3.3047	1.6623		1.6623
H8	1.0232	2.2277	2.6485	3.3047	2.6485	1.6623	1.6623

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B2	F3	104.325	N1	B2	F4	104.325
N1	B2	F5	104.325	B2	N1	H6	110.282
B2	N1	H7	110.282	B2	N1	H8	110.282
F3	B2	F4	114.090	F3	B2	F5	114.090
F4	B2	F5	114.090	H6	N1	H7	108.648
H6	N1	H8	108.648	H7	N1	H8	108.648

All results from a given calculation for NH₃BF₃ (Amminetrifluoroboron)

using model chemistry: MP4/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: MP4/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₃BF₃ (Amminetrifluoroboron)