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	hartrees
Energy at 0K	-81.700018
Energy at 298.15K	-81.706926
HF Energy	-81.597896
Nuclear repulsion energy	40.413685

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	3639	3173	1.72	46.04	0.01	0.02
2	A₁	2923	2548	27.78	26.19	0.06	0.12
3	A₁	1537	1340	102.96	7.34	0.50	0.67
4	A₁	1459	1273	140.03	1.22	0.53	0.69
5	A₁	816	711	3.45	3.46	0.33	0.49
6	A₂	265	231	0.00	0.00	0.00	0.00
7	E	3873	3377	12.32	26.45	0.75	0.86
7	E	3873	3377	12.32	26.45	0.75	0.86
8	E	3098	2701	61.39	16.84	0.75	0.86
8	E	3098	2701	61.39	16.84	0.75	0.86
9	E	1866	1627	10.53	12.68	0.75	0.86
9	E	1866	1627	10.53	12.68	0.75	0.86
10	E	1502	1310	17.29	12.31	0.75	0.86
10	E	1502	1310	17.29	12.31	0.75	0.86
11	E	1242	1083	43.44	7.38	0.75	0.86
11	E	1242	1083	43.44	7.38	0.75	0.86
12	E	751	655	14.11	0.69	0.75	0.86
12	E	751	655	14.11	0.69	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.937
N2	0.000	0.000	0.716
H3	0.000	-1.140	-1.229
H4	-0.987	0.570	-1.229
H5	0.987	0.570	-1.229
H6	0.000	0.972	1.120
H7	-0.842	-0.486	1.120
H8	0.842	-0.486	1.120

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6528	1.1764	1.1764	1.1764	2.2747	2.2747	2.2747
N2	1.6528		2.2539	2.2539	2.2539	1.0524	1.0524	1.0524
H3	1.1764	2.2539		1.9740	1.9740	3.1581	2.5789	2.5789
H4	1.1764	2.2539	1.9740		1.9740	2.5789	2.5789	3.1581
H5	1.1764	2.2539	1.9740	1.9740		2.5789	3.1581	2.5789
H6	2.2747	1.0524	3.1581	2.5789	2.5789		1.6833	1.6833
H7	2.2747	1.0524	2.5789	2.5789	3.1581	1.6833		1.6833
H8	2.2747	1.0524	2.5789	3.1581	2.5789	1.6833	1.6833

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	112.565	B1	N2	H7	112.565
B1	N2	H8	112.565	N2	B1	H3	104.363
N2	B1	H4	104.363	N2	B1	H5	104.363
H3	B1	H4	114.060	H3	B1	H5	114.060
H4	B1	H5	114.060	H6	N2	H7	106.208
H6	N2	H8	106.208	H7	N2	H8	106.208

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

using model chemistry: MP2/STO-3G

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/STO-3G

States and conformations

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