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	hartrees
Energy at 0K	-82.904897
Energy at 298.15K	-82.911738
HF Energy	-82.610946
Nuclear repulsion energy	40.369785

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3470	3277	6.52
2	A₁	2495	2356	65.26
3	A₁	1409	1331	142.75
4	A₁	1213	1146	104.03
5	A₁	663	627	15.71
6	A₂	263	249	0.00
7	E	3591	3391	29.08
7	E	3591	3391	29.08
8	E	2564	2421	215.91
8	E	2564	2421	215.91
9	E	1734	1637	32.65
9	E	1734	1637	32.65
10	E	1215	1148	5.32
10	E	1215	1148	5.32
11	E	1089	1028	43.32
11	E	1089	1028	43.32
12	E	659	622	2.72
12	E	659	622	2.72

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.937
N2	0.000	0.000	0.731
H3	0.000	-1.175	-1.242
H4	-1.017	0.587	-1.242
H5	1.017	0.587	-1.242
H6	0.000	0.952	1.099
H7	-0.825	-0.476	1.099
H8	0.825	-0.476	1.099

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6678	1.2138	1.2138	1.2138	2.2484	2.2484	2.2484
N2	1.6678		2.2961	2.2961	2.2961	1.0214	1.0214	1.0214
H3	1.2138	2.2961		2.0350	2.0350	3.1637	2.5791	2.5791
H4	1.2138	2.2961	2.0350		2.0350	2.5791	2.5791	3.1637
H5	1.2138	2.2961	2.0350	2.0350		2.5791	3.1637	2.5791
H6	2.2484	1.0214	3.1637	2.5791	2.5791		1.6498	1.6498
H7	2.2484	1.0214	2.5791	2.5791	3.1637	1.6498		1.6498
H8	2.2484	1.0214	2.5791	3.1637	2.5791	1.6498	1.6498

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	111.173	B1	N2	H7	111.173
B1	N2	H8	111.173	N2	B1	H3	104.551
N2	B1	H4	104.551	N2	B1	H5	104.551
H3	B1	H4	113.911	H3	B1	H5	113.911
H4	B1	H5	113.911	H6	N2	H7	107.717
H6	N2	H8	107.717	H7	N2	H8	107.717

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

using model chemistry: CCSD/6-31G*

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: CCSD/6-31G*

States and conformations

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