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	hartrees
Energy at 0K	-82.369788
Energy at 298.15K	-82.376675
HF Energy	-82.165600
Nuclear repulsion energy	39.997049

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3421	3421	5.69
2	A₁	2482	2482	53.33
3	A₁	1422	1422	174.50
4	A₁	1220	1220	104.57
5	A₁	680	680	12.61
6	A₂	260	260	0.00
7	E	3527	3527	29.68
7	E	3527	3527	29.68
8	E	2554	2554	187.25
8	E	2554	2554	187.25
9	E	1778	1778	33.95
9	E	1778	1778	33.95
10	E	1223	1223	6.05
10	E	1223	1223	6.05
11	E	1111	1111	51.84
11	E	1111	1111	51.84
12	E	684	684	2.34
12	E	684	684	2.34

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.950
N2	0.000	0.000	0.749
H3	0.000	-1.179	-1.257
H4	-1.021	0.590	-1.257
H5	1.021	0.590	-1.257
H6	0.000	0.966	1.092
H7	-0.836	-0.483	1.092
H8	0.836	-0.483	1.092

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6995	1.2187	1.2187	1.2187	2.2589	2.2589	2.2589
N2	1.6995		2.3272	2.3272	2.3272	1.0247	1.0247	1.0247
H3	1.2187	2.3272		2.0429	2.0429	3.1809	2.5886	2.5886
H4	1.2187	2.3272	2.0429		2.0429	2.5886	2.5886	3.1809
H5	1.2187	2.3272	2.0429	2.0429		2.5886	3.1809	2.5886
H6	2.2589	1.0247	3.1809	2.5886	2.5886		1.6728	1.6728
H7	2.2589	1.0247	2.5886	2.5886	3.1809	1.6728		1.6728
H8	2.2589	1.0247	2.5886	3.1809	2.5886	1.6728	1.6728

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	109.528	B1	N2	H7	109.528
B1	N2	H8	109.528	N2	B1	H3	104.573
N2	B1	H4	104.573	N2	B1	H5	104.573
H3	B1	H4	113.893	H3	B1	H5	113.893
H4	B1	H5	113.893	H6	N2	H7	109.415
H6	N2	H8	109.415	H7	N2	H8	109.415

All results from a given calculation for BH₃NH₃ (borane ammonia)

using model chemistry: MP3=FULL/3-21G*

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 BH3NH3 (borane ammonia)

using model chemistry: MP3=FULL/3-21G*

States and conformations

All results from a given calculation for BH₃NH₃ (borane ammonia)