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	hartrees
Energy at 0K	-82.996640
Energy at 298.15K	-83.003554
HF Energy	-82.643258
Nuclear repulsion energy	40.661938

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	3509	3329	7.55	85.16	0.00	0.00
2	A₁	2486	2358	68.63	159.43	0.03	0.07
3	A₁	1357	1287	120.13	2.80	0.38	0.55
4	A₁	1226	1163	129.02	1.55	0.51	0.68
5	A₁	690	655	11.66	4.06	0.33	0.49
6	A₂	291	276	0.00	0.00	0.00	0.00
7	E	3637	3450	38.96	37.75	0.75	0.86
7	E	3637	3450	38.96	37.75	0.75	0.86
8	E	2553	2421	251.93	62.02	0.75	0.86
8	E	2553	2421	251.93	62.02	0.75	0.86
9	E	1672	1586	26.28	5.74	0.75	0.86
9	E	1672	1586	26.28	5.74	0.75	0.86
10	E	1230	1167	5.79	15.21	0.75	0.86
10	E	1230	1167	5.79	15.21	0.75	0.86
11	E	1093	1037	39.64	10.12	0.75	0.86
11	E	1093	1037	39.64	10.12	0.75	0.86
12	E	661	627	0.89	1.44	0.75	0.86
12	E	661	627	0.89	1.44	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.926
N2	0.000	0.000	0.724
H3	0.000	-1.168	-1.235
H4	-1.012	0.584	-1.235
H5	1.012	0.584	-1.235
H6	0.000	0.948	1.089
H7	-0.821	-0.474	1.089
H8	0.821	-0.474	1.089

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6502	1.2083	1.2083	1.2083	2.2275	2.2275	2.2275
N2	1.6502		2.2806	2.2806	2.2806	1.0161	1.0161	1.0161
H3	1.2083	2.2806		2.0236	2.0236	3.1433	2.5607	2.5607
H4	1.2083	2.2806	2.0236		2.0236	2.5607	2.5607	3.1433
H5	1.2083	2.2806	2.0236	2.0236		2.5607	3.1433	2.5607
H6	2.2275	1.0161	3.1433	2.5607	2.5607		1.6422	1.6422
H7	2.2275	1.0161	2.5607	2.5607	3.1433	1.6422		1.6422
H8	2.2275	1.0161	2.5607	3.1433	2.5607	1.6422	1.6422

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	111.076	B1	N2	H7	111.076
B1	N2	H8	111.076	N2	B1	H3	104.785
N2	B1	H4	104.785	N2	B1	H5	104.785
H3	B1	H4	113.723	H3	B1	H5	113.723
H4	B1	H5	113.723	H6	N2	H7	107.820
H6	N2	H8	107.820	H7	N2	H8	107.820

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

using model chemistry: MP2=FULL/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=FULL/6-311G**

States and conformations

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