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	hartrees
Energy at 0K	-380.261647
Energy at 298.15K	-380.266759
HF Energy	-379.431478
Nuclear repulsion energy	189.631954

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3496	3330	17.34
2	A₁	1308	1246	194.75
3	A₁	881	839	270.44
4	A₁	674	642	119.45
5	A₁	448	427	0.91
6	A₂	126	120	0.00
7	E	3645	3472	58.93
7	E	3645	3472	58.93
8	E	1643	1565	19.73
8	E	1643	1565	19.73
9	E	1279	1219	357.59
9	E	1279	1219	357.59
10	E	797	759	2.14
10	E	797	759	2.14
11	E	445	423	1.02
11	E	445	423	1.02
12	E	272	259	11.51
12	E	272	259	11.51

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	1.467
B2	0.000	0.000	-0.217
F3	0.000	1.345	-0.543
F4	1.164	-0.672	-0.543
F5	-1.164	-0.672	-0.543
H6	0.000	-0.957	1.827
H7	0.829	0.479	1.827
H8	-0.829	0.479	1.827

	N1	B2	F3	F4	F5	H6	H7	H8
N1		1.6840	2.4182	2.4182	2.4182	1.0227	1.0227	1.0227
B2	1.6840		1.3835	1.3835	1.3835	2.2574	2.2574	2.2574
F3	2.4182	1.3835		2.3288	2.3288	3.3040	2.6563	2.6563
F4	2.4182	1.3835	2.3288		2.3288	2.6563	2.6563	3.3040
F5	2.4182	1.3835	2.3288	2.3288		2.6563	3.3040	2.6563
H6	1.0227	2.2574	3.3040	2.6563	2.6563		1.6577	1.6577
H7	1.0227	2.2574	2.6563	2.6563	3.3040	1.6577		1.6577
H8	1.0227	2.2574	2.6563	3.3040	2.6563	1.6577	1.6577

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B2	F3	103.627	N1	B2	F4	103.627
N1	B2	F5	103.627	B2	N1	H6	110.640
B2	N1	H7	110.640	B2	N1	H8	110.640
F3	B2	F4	114.629	F3	B2	F5	114.629
F4	B2	F5	114.629	H6	N1	H7	108.277
H6	N1	H8	108.277	H7	N1	H8	108.277

All results from a given calculation for NH₃BF₃ (Amminetrifluoroboron)

using model chemistry: MP2/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: MP2/cc-pVDZ

States and conformations

All results from a given calculation for NH₃BF₃ (Amminetrifluoroboron)