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	hartrees
Energy at 0K	-83.027005
Energy at 298.15K	-83.033843
HF Energy	-82.653499
Nuclear repulsion energy	40.688154

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	3486	3486	4.00	124.13	0.00	0.00
2	A₁	2480	2480	57.95	259.35	0.02	0.03
3	A₁	1331	1331	129.78	0.40	0.26	0.41
4	A₁	1209	1209	144.24	1.10	0.22	0.36
5	A₁	682	682	12.49	6.41	0.33	0.49
6	A₂	261	261	0.00	0.00	0.75	0.86
7	E	3615	3615	44.87	30.35	0.75	0.86
7	E	3615	3615	44.87	30.35	0.75	0.86
8	E	2546	2546	257.72	58.63	0.75	0.86
8	E	2546	2546	257.72	58.63	0.75	0.86
9	E	1675	1675	26.30	2.90	0.75	0.86
9	E	1675	1675	26.30	2.90	0.75	0.86
10	E	1216	1216	6.55	3.71	0.75	0.86
10	E	1216	1216	6.55	3.71	0.75	0.86
11	E	1077	1077	29.49	1.14	0.75	0.86
11	E	1077	1077	29.49	1.14	0.75	0.86
12	E	646	646	1.12	0.33	0.75	0.86
12	E	646	646	1.12	0.33	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.927
N2	0.000	0.000	0.725
H3	0.000	-1.167	-1.235
H4	-1.011	0.583	-1.235
H5	1.011	0.583	-1.235
H6	0.000	0.947	1.088
H7	-0.820	-0.473	1.088
H8	0.820	-0.473	1.088

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6515	1.2069	1.2069	1.2069	2.2261	2.2261	2.2261
N2	1.6515		2.2807	2.2807	2.2807	1.0141	1.0141	1.0141
H3	1.2069	2.2807		2.0211	2.0211	3.1406	2.5590	2.5590
H4	1.2069	2.2807	2.0211		2.0211	2.5590	2.5590	3.1406
H5	1.2069	2.2807	2.0211	2.0211		2.5590	3.1406	2.5590
H6	2.2261	1.0141	3.1406	2.5590	2.5590		1.6400	1.6400
H7	2.2261	1.0141	2.5590	2.5590	3.1406	1.6400		1.6400
H8	2.2261	1.0141	2.5590	3.1406	2.5590	1.6400	1.6400

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	110.986	B1	N2	H7	110.986
B1	N2	H8	110.986	N2	B1	H3	104.792
N2	B1	H4	104.792	N2	B1	H5	104.792
H3	B1	H4	113.717	H3	B1	H5	113.717
H4	B1	H5	113.717	H6	N2	H7	107.915
H6	N2	H8	107.915	H7	N2	H8	107.915

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

using model chemistry: MP2/daug-cc-pVTZ

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/daug-cc-pVTZ

States and conformations

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