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	hartrees
Energy at 0K	-82.911200
Energy at 298.15K	-82.918112
HF Energy	-82.631665
Nuclear repulsion energy	40.631051

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	3521	3346	7.34	79.50	0.00	0.01
2	A₁	2467	2344	68.65	152.30	0.04	0.08
3	A₁	1402	1333	146.47	2.37	0.42	0.60
4	A₁	1207	1147	110.84	2.37	0.63	0.77
5	A₁	689	654	11.85	4.19	0.35	0.52
6	A₂	289	274	0.00	0.00	0.00	0.00
7	E	3648	3467	36.51	38.04	0.75	0.86
7	E	3648	3467	36.51	38.04	0.75	0.86
8	E	2535	2409	251.23	64.85	0.75	0.86
8	E	2535	2409	251.23	64.85	0.75	0.86
9	E	1750	1663	35.88	6.00	0.75	0.86
9	E	1750	1663	35.88	6.00	0.75	0.86
10	E	1203	1143	2.62	18.09	0.75	0.86
10	E	1203	1143	2.62	18.09	0.75	0.86
11	E	1100	1046	43.94	10.49	0.75	0.86
11	E	1100	1046	43.94	10.49	0.75	0.86
12	E	673	640	1.04	1.48	0.75	0.86
12	E	673	640	1.04	1.48	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.925
N2	0.000	0.000	0.727
H3	0.000	-1.171	-1.240
H4	-1.014	0.585	-1.240
H5	1.014	0.585	-1.240
H6	0.000	0.949	1.085
H7	-0.822	-0.474	1.085
H8	0.822	-0.474	1.085

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6523	1.2121	1.2121	1.2121	2.2234	2.2234	2.2234
N2	1.6523		2.2889	2.2889	2.2889	1.0144	1.0143	1.0143
H3	1.2121	2.2889		2.0275	2.0275	3.1463	2.5626	2.5626
H4	1.2121	2.2889	2.0275		2.0275	2.5626	2.5626	3.1463
H5	1.2121	2.2889	2.0275	2.0275		2.5626	3.1463	2.5626
H6	2.2234	1.0144	3.1463	2.5626	2.5626		1.6436	1.6436
H7	2.2234	1.0143	2.5626	2.5626	3.1463	1.6436		1.6436
H8	2.2234	1.0143	2.5626	3.1463	2.5626	1.6436	1.6436

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	110.692	B1	N2	H7	110.692
B1	N2	H8	110.692	N2	B1	H3	105.043
N2	B1	H4	105.043	N2	B1	H5	105.043
H3	B1	H4	113.513	H3	B1	H5	113.513
H4	B1	H5	113.513	H6	N2	H7	108.223
H6	N2	H8	108.223	H7	N2	H8	108.223

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

using model chemistry: MP2/6-311G*

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

using model chemistry: MP2/6-311G*

States and conformations

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