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	hartrees
Energy at 0K	-82.347699
Energy at 298.15K	-82.354588
HF Energy	-82.165605
Nuclear repulsion energy	39.980506

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	3408	3242	8.00	71.01	0.02	0.03
2	A₁	2503	2381	55.40	108.22	0.04	0.07
3	A₁	1407	1339	173.02	5.36	0.18	0.31
4	A₁	1232	1172	113.63	9.65	0.72	0.84
5	A₁	675	643	12.47	2.82	0.26	0.41
6	A₂	261	249	0.00	0.00	0.00	0.00
7	E	3528	3356	35.82	41.17	0.75	0.86
7	E	3528	3356	35.82	41.17	0.75	0.86
8	E	2575	2450	202.04	41.13	0.75	0.86
8	E	2575	2450	202.04	41.13	0.75	0.86
9	E	1774	1688	33.80	11.41	0.75	0.86
9	E	1774	1688	33.80	11.41	0.75	0.86
10	E	1238	1178	7.21	18.14	0.75	0.86
10	E	1238	1178	7.21	18.14	0.75	0.86
11	E	1113	1059	53.48	20.38	0.75	0.86
11	E	1113	1059	53.48	20.38	0.75	0.86
12	E	682	649	2.54	0.86	0.75	0.86
12	E	682	649	2.54	0.86	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.952
N2	0.000	0.000	0.750
H3	0.000	-1.177	-1.257
H4	-1.020	0.589	-1.257
H5	1.020	0.589	-1.257
H6	0.000	0.967	1.092
H7	-0.837	-0.483	1.092
H8	0.837	-0.483	1.092

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.7024	1.2161	1.2161	1.2161	2.2615	2.2615	2.2615
N2	1.7024		2.3270	2.3270	2.3270	1.0255	1.0255	1.0255
H3	1.2161	2.3270		2.0392	2.0392	3.1806	2.5887	2.5887
H4	1.2161	2.3270	2.0392		2.0392	2.5887	2.5887	3.1806
H5	1.2161	2.3270	2.0392	2.0392		2.5887	3.1806	2.5887
H6	2.2615	1.0255	3.1806	2.5887	2.5887		1.6745	1.6745
H7	2.2615	1.0255	2.5887	2.5887	3.1806	1.6745		1.6745
H8	2.2615	1.0255	2.5887	3.1806	2.5887	1.6745	1.6745

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	109.486	B1	N2	H7	109.486
B1	N2	H8	109.486	N2	B1	H3	104.514
N2	B1	H4	104.514	N2	B1	H5	104.514
H3	B1	H4	113.941	H3	B1	H5	113.941
H4	B1	H5	113.941	H6	N2	H7	109.456
H6	N2	H8	109.456	H7	N2	H8	109.456

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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