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	hartrees
Energy at 0K	-83.011051
Energy at 298.15K	-83.017913
HF Energy	-82.650923
Nuclear repulsion energy	40.747988

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3505	3307	4.07	112.06	0.00	0.00
2	A₁	2478	2338	59.31	219.92	0.02	0.03
3	A₁	1337	1262	132.08	0.29	0.40	0.57
4	A₁	1213	1145	142.55	0.65	0.30	0.46
5	A₁	687	648	11.97	6.17	0.31	0.47
6	A₂	263	249	0.00	0.00	0.75	0.86
7	E	3634	3428	44.93	30.38	0.75	0.86
7	E	3634	3428	44.93	30.38	0.75	0.86
8	E	2543	2399	252.06	60.36	0.75	0.86
8	E	2543	2399	252.06	60.36	0.75	0.86
9	E	1680	1585	26.48	3.04	0.75	0.86
9	E	1680	1585	26.48	3.04	0.75	0.86
10	E	1220	1151	5.06	4.26	0.75	0.86
10	E	1220	1151	5.06	4.26	0.75	0.86
11	E	1082	1021	29.22	1.23	0.75	0.86
11	E	1082	1021	29.22	1.23	0.75	0.86
12	E	652	615	1.37	0.31	0.75	0.86
12	E	652	615	1.37	0.31	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.924
N2	0.000	0.000	0.723
H3	0.000	-1.166	-1.233
H4	-1.010	0.583	-1.233
H5	1.010	0.583	-1.233
H6	0.000	0.946	1.086
H7	-0.819	-0.473	1.086
H8	0.819	-0.473	1.086

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6466	1.2062	1.2062	1.2062	2.2218	2.2218	2.2218
N2	1.6466		2.2773	2.2773	2.2773	1.0136	1.0136	1.0136
H3	1.2062	2.2773		2.0192	2.0192	3.1372	2.5560	2.5560
H4	1.2062	2.2773	2.0192		2.0192	2.5560	2.5560	3.1372
H5	1.2062	2.2773	2.0192	2.0192		2.5560	3.1372	2.5560
H6	2.2218	1.0136	3.1372	2.5560	2.5560		1.6388	1.6388
H7	2.2218	1.0136	2.5560	2.5560	3.1372	1.6388		1.6388
H8	2.2218	1.0136	2.5560	3.1372	2.5560	1.6388	1.6388

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	111.025	B1	N2	H7	111.025
B1	N2	H8	111.025	N2	B1	H3	104.876
N2	B1	H4	104.876	N2	B1	H5	104.876
H3	B1	H4	113.649	H3	B1	H5	113.649
H4	B1	H5	113.649	H6	N2	H7	107.874
H6	N2	H8	107.874	H7	N2	H8	107.874

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

using model chemistry: MP2/6-311+G(3df,2p)

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: MP2/6-311+G(3df,2p)

States and conformations

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