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	hartrees
Energy at 0K	-83.025048
Energy at 298.15K	-83.032099
Nuclear repulsion energy	40.436989

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	3692	3479	14.02	77.14	0.01	0.03
2	A₁	2560	2412	88.37	124.37	0.04	0.07
3	A₁	1484	1398	181.19	2.07	0.24	0.39
4	A₁	1280	1206	173.58	6.90	0.75	0.86
5	A₁	604	570	34.66	2.32	0.28	0.43
6	A₂	252	237	0.00	0.00	0.00	0.00
7	E	3817	3597	42.17	46.22	0.75	0.86
7	E	3817	3597	42.17	46.22	0.75	0.86
8	E	2604	2454	322.37	50.71	0.75	0.86
8	E	2604	2454	322.37	50.71	0.75	0.86
9	E	1838	1731	35.57	7.19	0.75	0.86
9	E	1838	1731	35.57	7.19	0.75	0.86
10	E	1294	1219	16.16	16.37	0.75	0.86
10	E	1294	1219	16.16	16.37	0.75	0.86
11	E	1132	1067	54.49	15.63	0.75	0.86
11	E	1132	1067	54.49	15.63	0.75	0.86
12	E	681	641	2.07	0.92	0.75	0.86
12	E	681	641	2.07	0.92	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.933
N2	0.000	0.000	0.728
H3	0.000	-1.170	-1.238
H4	-1.013	0.585	-1.238
H5	1.013	0.585	-1.238
H6	0.000	0.952	1.094
H7	-0.824	-0.476	1.094
H8	0.824	-0.476	1.094

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6602	1.2092	1.2092	1.2092	2.2392	2.2392	2.2392
N2	1.6602		2.2871	2.2871	2.2871	1.0198	1.0198	1.0198
H3	1.2092	2.2871		2.0267	2.0267	3.1527	2.5688	2.5688
H4	1.2092	2.2871	2.0267		2.0267	2.5688	2.5688	3.1527
H5	1.2092	2.2871	2.0267	2.0267		2.5688	3.1527	2.5688
H6	2.2392	1.0198	3.1527	2.5688	2.5688		1.6482	1.6482
H7	2.2392	1.0198	2.5688	2.5688	3.1527	1.6482		1.6482
H8	2.2392	1.0198	2.5688	3.1527	2.5688	1.6482	1.6482

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	110.917	B1	N2	H7	110.917
B1	N2	H8	110.917	N2	B1	H3	104.319
N2	B1	H4	104.319	N2	B1	H5	104.319
H3	B1	H4	114.095	H3	B1	H5	114.095
H4	B1	H5	114.095	H6	N2	H7	107.987
H6	N2	H8	107.987	H7	N2	H8	107.987

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

using model chemistry: G2

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: G2

States and conformations

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