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	hartrees
Energy at 0K	-380.474486
Energy at 298.15K	-380.479792
HF Energy	-379.575305
Nuclear repulsion energy	191.553093

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3528	3300	15.65
2	A₁	1377	1288	219.23
3	A₁	921	861	297.04
4	A₁	700	655	130.65
5	A₁	469	438	2.17
6	A₂	162	151	0.00
7	E	3647	3411	49.18
7	E	3647	3411	49.18
8	E	1676	1568	26.87
8	E	1676	1568	26.86
9	E	1301	1216	425.28
9	E	1301	1216	425.27
10	E	840	785	0.60
10	E	840	785	0.60
11	E	455	425	1.62
11	E	455	425	1.62
12	E	289	270	10.77
12	E	289	270	10.77

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	1.466
B2	0.000	0.000	-0.211
F3	0.000	1.325	-0.543
F4	1.148	-0.663	-0.543
F5	-1.148	-0.663	-0.543
H6	0.000	-0.951	1.818
H7	0.824	0.476	1.818
H8	-0.824	0.476	1.818

	N1	B2	F3	F4	F5	H6	H7	H8
N1		1.6773	2.4066	2.4066	2.4066	1.0143	1.0143	1.0143
B2	1.6773		1.3661	1.3661	1.3661	2.2415	2.2415	2.2415
F3	2.4066	1.3661		2.2954	2.2954	3.2799	2.6413	2.6413
F4	2.4066	1.3661	2.2954		2.2954	2.6413	2.6413	3.2799
F5	2.4066	1.3661	2.2954	2.2954		2.6413	3.2799	2.6413
H6	1.0143	2.2415	3.2799	2.6413	2.6413		1.6474	1.6474
H7	1.0143	2.2415	2.6413	2.6413	3.2799	1.6474		1.6474
H8	1.0143	2.2415	2.6413	3.2799	2.6413	1.6474	1.6474

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B2	F3	104.048	N1	B2	F4	104.048
N1	B2	F5	104.048	B2	N1	H6	110.334
B2	N1	H7	110.334	B2	N1	H8	110.334
F3	B2	F4	114.307	F3	B2	F5	114.307
F4	B2	F5	114.307	H6	N1	H7	108.594
H6	N1	H8	108.594	H7	N1	H8	108.594

All results from a given calculation for NH₃BF₃ (Amminetrifluoroboron)

using model chemistry: MP3/TZVP

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/TZVP

States and conformations

All results from a given calculation for NH₃BF₃ (Amminetrifluoroboron)