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	hartrees
Energy at 0K	-82.881415
Energy at 298.15K	-82.888286
HF Energy	-82.611037
Nuclear repulsion energy	40.506573

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	3490	3288	9.94	78.55	0.01	0.01
2	A₁	2535	2388	67.82	104.92	0.04	0.07
3	A₁	1401	1320	150.36	4.44	0.29	0.45
4	A₁	1233	1162	107.19	6.19	0.69	0.82
5	A₁	677	638	13.83	3.23	0.26	0.42
6	A₂	272	256	0.00	0.00	0.00	0.00
7	E	3627	3418	40.90	42.64	0.75	0.86
7	E	3627	3418	40.90	42.64	0.75	0.86
8	E	2611	2460	225.07	44.98	0.75	0.86
8	E	2611	2460	225.07	44.98	0.75	0.86
9	E	1735	1635	34.21	8.18	0.75	0.86
9	E	1735	1635	34.21	8.18	0.75	0.86
10	E	1238	1166	5.33	17.38	0.75	0.86
10	E	1238	1166	5.33	17.38	0.75	0.86
11	E	1101	1037	45.18	14.06	0.75	0.86
11	E	1101	1037	45.18	14.06	0.75	0.86
12	E	663	624	3.03	0.80	0.75	0.86
12	E	663	624	3.03	0.80	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	111.076	B1	N2	H7	111.076
B1	N2	H8	111.076	N2	B1	H3	104.605
N2	B1	H4	104.605	N2	B1	H5	104.605
H3	B1	H4	113.868	H3	B1	H5	113.868
H4	B1	H5	113.868	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/6-31G*

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: MP2=FULL/6-31G*

States and conformations

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