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	hartrees
Energy at 0K	-81.704760
Energy at 298.15K	-81.711652
HF Energy	-81.704760
Nuclear repulsion energy	40.857410

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3505	3139	0.86
2	A₁	2845	2548	15.29
3	A₁	1411	1264	70.98
4	A₁	1371	1227	68.38
5	A₁	845	756	0.25
6	A₂	293	263	0.00
7	E	3712	3324	13.80
7	E	3712	3324	13.79
8	E	3017	2702	34.43
8	E	3017	2702	34.43
9	E	1765	1581	17.27
9	E	1765	1581	17.27
10	E	1410	1263	1.89
10	E	1410	1263	1.89
11	E	1197	1072	37.22
11	E	1197	1072	37.22
12	E	726	650	22.88
12	E	726	650	22.88

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.909
N2	0.000	0.000	0.699
H3	0.000	-1.132	-1.214
H4	-0.980	0.566	-1.214
H5	0.980	0.566	-1.214
H6	0.000	0.979	1.097
H7	-0.848	-0.489	1.097
H8	0.848	-0.489	1.097

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6087	1.1723	1.1723	1.1723	2.2325	2.2325	2.2325
N2	1.6087		2.2229	2.2229	2.2229	1.0567	1.0567	1.0567
H3	1.1723	2.2229		1.9608	1.9608	3.1299	2.5439	2.5439
H4	1.1723	2.2229	1.9608		1.9608	2.5439	2.5439	3.1299
H5	1.1723	2.2229	1.9608	1.9608		2.5439	3.1299	2.5439
H6	2.2325	1.0567	3.1299	2.5439	2.5439		1.6956	1.6956
H7	2.2325	1.0567	2.5439	2.5439	3.1299	1.6956		1.6956
H8	2.2325	1.0567	2.5439	3.1299	2.5439	1.6956	1.6956

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	112.110	B1	N2	H7	112.110
B1	N2	H8	112.110	N2	B1	H3	105.049
N2	B1	H4	105.049	N2	B1	H5	105.049
H3	B1	H4	113.508	H3	B1	H5	113.508
H4	B1	H5	113.508	H6	N2	H7	106.708
H6	N2	H8	106.708	H7	N2	H8	106.708

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

using model chemistry: LSDA/STO-3G

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	-0.156
2	N	-0.377
3	H	-0.082
4	H	-0.082
5	H	-0.082
6	H	0.259
7	H	0.259
8	H	0.259

<r²>	31.034
(<r²>)^1/2	5.571

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

using model chemistry: LSDA/STO-3G

States and conformations

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