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	hartrees
Energy at 0K	-83.178796
Energy at 298.15K	-83.185544
HF Energy	-83.178796
Nuclear repulsion energy	40.130113

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	3404	3346	0.40	115.00	0.00	0.00
2	A₁	2379	2338	68.53	186.14	0.02	0.03
3	A₁	1310	1287	103.31	5.55	0.29	0.45
4	A₁	1153	1133	123.43	0.28	0.00	0.00
5	A₁	592	582	19.88	5.02	0.36	0.53
6	A₂	269	264	0.00	0.00	0.75	0.86
7	E	3528	3468	28.35	39.75	0.75	0.86
7	E	3528	3468	28.35	39.75	0.75	0.86
8	E	2436	2394	293.36	70.06	0.75	0.86
8	E	2436	2394	293.44	70.09	0.75	0.86
9	E	1655	1626	29.02	6.00	0.75	0.86
9	E	1655	1626	29.02	6.01	0.75	0.86
10	E	1157	1137	2.86	5.96	0.75	0.86
10	E	1157	1137	2.86	5.96	0.75	0.86
11	E	1036	1018	39.37	8.66	0.75	0.86
11	E	1036	1018	39.36	8.65	0.75	0.86
12	E	628	617	1.60	1.10	0.75	0.86
12	E	628	617	1.61	1.10	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.949
N2	0.000	0.000	0.739
H3	0.000	-1.182	-1.250
H4	-1.024	0.591	-1.250
H5	1.024	0.591	-1.250
H6	0.000	0.952	1.107
H7	-0.825	-0.476	1.107
H8	0.825	-0.476	1.107

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6880	1.2198	1.2198	1.2198	2.2663	2.2663	2.2663
N2	1.6880		2.3136	2.3136	2.3136	1.0210	1.0210	1.0210
H3	1.2198	2.3136		2.0476	2.0476	3.1800	2.5953	2.5953
H4	1.2198	2.3136	2.0476		2.0476	2.5953	2.5953	3.1800
H5	1.2198	2.3136	2.0476	2.0476		2.5953	3.1800	2.5953
H6	2.2663	1.0210	3.1800	2.5953	2.5953		1.6491	1.6491
H7	2.2663	1.0210	2.5953	2.5953	3.1800	1.6491		1.6491
H8	2.2663	1.0210	2.5953	3.1800	2.5953	1.6491	1.6491

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	111.160	B1	N2	H7	111.160
B1	N2	H8	111.160	N2	B1	H3	104.274
N2	B1	H4	104.274	N2	B1	H5	104.274
H3	B1	H4	114.131	H3	B1	H5	114.131
H4	B1	H5	114.130	H6	N2	H7	107.730
H6	N2	H8	107.730	H7	N2	H8	107.730

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

using model chemistry: B97D3/6-31+G**

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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Number	Element	Mulliken
1	B	-0.037
2	N	-0.823
3	H	-0.071
4	H	-0.071
5	H	-0.071
6	H	0.357
7	H	0.357
8	H	0.357

<r²>	33.891
(<r²>)^1/2	5.822

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

using model chemistry: B97D3/6-31+G**

States and conformations

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