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	hartrees
Energy at 0K	-83.197172
Energy at 298.15K	-83.203946
HF Energy	-83.197172
Nuclear repulsion energy	40.241648

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	3400	3352	0.47	108.29	0.00	0.00
2	A₁	2365	2332	65.96	172.74	0.03	0.06
3	A₁	1312	1293	86.08	7.79	0.30	0.46
4	A₁	1158	1142	117.56	1.24	0.56	0.72
5	A₁	601	592	14.08	2.52	0.37	0.54
6	A₂	269	265	0.00	0.00	0.75	0.86
7	E	3508	3458	20.82	50.76	0.75	0.86
7	E	3508	3458	20.83	50.75	0.75	0.86
8	E	2423	2388	263.90	72.61	0.75	0.86
8	E	2423	2388	264.00	72.65	0.75	0.86
9	E	1648	1625	24.54	6.59	0.75	0.86
9	E	1648	1625	24.54	6.59	0.75	0.86
10	E	1157	1140	3.60	15.51	0.75	0.86
10	E	1157	1140	3.60	15.52	0.75	0.86
11	E	1041	1026	36.10	10.76	0.75	0.86
11	E	1041	1026	36.10	10.76	0.75	0.86
12	E	636	627	1.56	1.30	0.75	0.86
12	E	636	627	1.56	1.30	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.944
N2	0.000	0.000	0.736
H3	0.000	-1.178	-1.249
H4	-1.020	0.589	-1.249
H5	1.020	0.589	-1.249
H6	0.000	0.951	1.105
H7	-0.823	-0.475	1.105
H8	0.823	-0.475	1.105

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6804	1.2165	1.2165	1.2165	2.2590	2.2590	2.2590
N2	1.6804		2.3079	2.3079	2.3079	1.0197	1.0197	1.0197
H3	1.2165	2.3079		2.0401	2.0401	3.1733	2.5905	2.5905
H4	1.2165	2.3079	2.0401		2.0401	2.5905	2.5905	3.1733
H5	1.2165	2.3079	2.0401	2.0401		2.5905	3.1733	2.5905
H6	2.2590	1.0197	3.1733	2.5905	2.5905		1.6466	1.6466
H7	2.2590	1.0197	2.5905	2.5905	3.1733	1.6466		1.6466
H8	2.2590	1.0197	2.5905	3.1733	2.5905	1.6466	1.6466

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	111.208	B1	N2	H7	111.208
B1	N2	H8	111.208	N2	B1	H3	104.485
N2	B1	H4	104.485	N2	B1	H5	104.485
H3	B1	H4	113.964	H3	B1	H5	113.964
H4	B1	H5	113.964	H6	N2	H7	107.680
H6	N2	H8	107.680	H7	N2	H8	107.680

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

using model chemistry: B97D3/6-311G**

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	-0.088
2	N	-0.374
3	H	-0.091
4	H	-0.091
5	H	-0.091
6	H	0.245
7	H	0.245
8	H	0.245

<r²>	33.679
(<r²>)^1/2	5.803

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

using model chemistry: B97D3/6-311G**

States and conformations

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