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	hartrees
Energy at 0K	-83.002661
Energy at 298.15K	-83.009518
HF Energy	-82.629276
Nuclear repulsion energy	40.614738

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3518	3333	7.51
2	A₁	2508	2376	63.38
3	A₁	1359	1288	122.81
4	A₁	1229	1165	117.11
5	A₁	673	638	12.10
6	A₂	263	249	0.00
7	E	3638	3447	37.28
7	E	3638	3447	37.28
8	E	2578	2442	194.60
8	E	2578	2442	194.60
9	E	1698	1609	26.84
9	E	1698	1609	26.84
10	E	1231	1166	4.89
10	E	1231	1166	4.89
11	E	1091	1034	32.46
11	E	1091	1034	32.46
12	E	654	620	3.36
12	E	654	620	3.36

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.930
N2	0.000	0.000	0.726
H3	0.000	-1.168	-1.237
H4	-1.012	0.584	-1.237
H5	1.012	0.584	-1.237
H6	0.000	0.947	1.092
H7	-0.820	-0.473	1.092
H8	0.820	-0.473	1.092

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6568	1.2077	1.2077	1.2077	2.2331	2.2331	2.2331
N2	1.6568		2.2843	2.2843	2.2843	1.0150	1.0150	1.0150
H3	1.2077	2.2843		2.0234	2.0234	3.1458	2.5647	2.5647
H4	1.2077	2.2843	2.0234		2.0234	2.5647	2.5647	3.1458
H5	1.2077	2.2843	2.0234	2.0234		2.5647	3.1458	2.5647
H6	2.2331	1.0150	3.1458	2.5647	2.5647		1.6400	1.6400
H7	2.2331	1.0150	2.5647	2.5647	3.1458	1.6400		1.6400
H8	2.2331	1.0150	2.5647	3.1458	2.5647	1.6400	1.6400

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	111.114	B1	N2	H7	111.114
B1	N2	H8	111.114	N2	B1	H3	104.687
N2	B1	H4	104.687	N2	B1	H5	104.687
H3	B1	H4	113.802	H3	B1	H5	113.802
H4	B1	H5	113.802	H6	N2	H7	107.780
H6	N2	H8	107.780	H7	N2	H8	107.780

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

using model chemistry: QCISD/6-31G(2df,p)

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: QCISD/6-31G(2df,p)

States and conformations

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