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	hartrees
Energy at 0K	-82.734973
Energy at 298.15K	-82.741864
HF Energy	-82.734973
Nuclear repulsion energy	40.235582

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3393	3261	3.31
2	A₁	2472	2376	52.32
3	A₁	1355	1302	162.94
4	A₁	1184	1138	74.93
5	A₁	699	672	7.33
6	A₂	268	258	0.00
7	E	3509	3373	36.08
7	E	3509	3373	36.08
8	E	2546	2448	190.84
8	E	2546	2448	190.86
9	E	1733	1666	37.61
9	E	1733	1666	37.61
10	E	1195	1148	0.11
10	E	1195	1148	0.11
11	E	1093	1050	52.39
11	E	1093	1050	52.39
12	E	678	652	3.70
12	E	678	652	3.70

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.934
N2	0.000	0.000	0.740
H3	0.000	-1.173	-1.253
H4	-1.016	0.586	-1.253
H5	1.016	0.586	-1.253
H6	0.000	0.968	1.082
H7	-0.838	-0.484	1.082
H8	0.838	-0.484	1.082

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6740	1.2154	1.2154	1.2154	2.2362	2.2362	2.2362
N2	1.6740		2.3129	2.3129	2.3129	1.0267	1.0267	1.0267
H3	1.2154	2.3129		2.0310	2.0310	3.1681	2.5751	2.5751
H4	1.2154	2.3129	2.0310		2.0310	2.5751	2.5751	3.1681
H5	1.2154	2.3129	2.0310	2.0310		2.5751	3.1681	2.5751
H6	2.2362	1.0267	3.1681	2.5751	2.5751		1.6768	1.6768
H7	2.2362	1.0267	2.5751	2.5751	3.1681	1.6768		1.6768
H8	2.2362	1.0267	2.5751	3.1681	2.5751	1.6768	1.6768

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	109.445	B1	N2	H7	109.445
B1	N2	H8	109.445	N2	B1	H3	105.244
N2	B1	H4	105.244	N2	B1	H5	105.244
H3	B1	H4	113.347	H3	B1	H5	113.347
H4	B1	H5	113.347	H6	N2	H7	109.497
H6	N2	H8	109.497	H7	N2	H8	109.497

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

using model chemistry: B3PW91/3-21G

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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Number	Element	Mulliken
1	B	-0.280
2	N	-0.755
3	H	-0.015
4	H	-0.015
5	H	-0.015
6	H	0.360
7	H	0.360
8	H	0.360

<r²>	33.299
(<r²>)^1/2	5.771

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

using model chemistry: B3PW91/3-21G

States and conformations

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