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	hartrees
Energy at 0K	-82.932289
Energy at 298.15K	-82.939167
HF Energy	-82.624386
Nuclear repulsion energy	40.680224

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	3543	3311	7.79	81.17	0.00	0.01
2	A₁	2554	2386	69.33	106.18	0.03	0.07
3	A₁	1372	1282	141.72	4.62	0.29	0.45
4	A₁	1246	1164	122.29	4.93	0.68	0.81
5	A₁	675	630	13.80	3.28	0.26	0.41
6	A₂	276	257	0.00	0.00	0.00	0.00
7	E	3686	3444	38.94	41.14	0.75	0.86
7	E	3686	3444	38.94	41.14	0.75	0.86
8	E	2634	2461	229.31	43.08	0.75	0.86
8	E	2634	2461	229.31	43.08	0.75	0.86
9	E	1714	1602	29.69	7.93	0.75	0.86
9	E	1714	1602	29.69	7.93	0.75	0.86
10	E	1256	1173	7.58	15.79	0.75	0.86
10	E	1256	1173	7.58	15.79	0.75	0.86
11	E	1102	1030	44.14	13.46	0.75	0.86
11	E	1102	1030	44.14	13.46	0.75	0.86
12	E	655	612	2.51	0.72	0.75	0.86
12	E	655	612	2.51	0.72	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.931
N2	0.000	0.000	0.726
H3	0.000	-1.164	-1.231
H4	-1.008	0.582	-1.231
H5	1.008	0.582	-1.231
H6	0.000	0.946	1.090
H7	-0.820	-0.473	1.090
H8	0.820	-0.473	1.090

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6568	1.2023	1.2023	1.2023	2.2315	2.2315	2.2315
N2	1.6568		2.2771	2.2771	2.2771	1.0141	1.0141	1.0141
H3	1.2023	2.2771		2.0164	2.0164	3.1373	2.5567	2.5567
H4	1.2023	2.2771	2.0164		2.0164	2.5567	2.5567	3.1373
H5	1.2023	2.2771	2.0164	2.0164		2.5567	3.1373	2.5567
H6	2.2315	1.0141	3.1373	2.5567	2.5567		1.6394	1.6394
H7	2.2315	1.0141	2.5567	2.5567	3.1373	1.6394		1.6394
H8	2.2315	1.0141	2.5567	3.1373	2.5567	1.6394	1.6394

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	111.040	B1	N2	H7	111.040
B1	N2	H8	111.040	N2	B1	H3	104.463
N2	B1	H4	104.463	N2	B1	H5	104.463
H3	B1	H4	113.981	H3	B1	H5	113.981
H4	B1	H5	113.981	H6	N2	H7	107.858
H6	N2	H8	107.858	H7	N2	H8	107.858

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)