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	hartrees
Energy at 0K	-83.014346
Energy at 298.15K	-83.021240
HF Energy	-82.629318
Nuclear repulsion energy	40.801695

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3559	3559	9.01
2	A₁	2543	2543	63.94
3	A₁	1370	1370	128.60
4	A₁	1238	1238	112.73
5	A₁	699	699	10.57
6	A₂	269	269	0.00
7	E	3677	3677	42.35
7	E	3677	3677	42.35
8	E	2619	2619	189.97
8	E	2619	2619	189.97
9	E	1713	1713	28.28
9	E	1713	1713	28.28
10	E	1239	1239	3.10
10	E	1239	1239	3.10
11	E	1105	1105	33.28
11	E	1105	1105	33.28
12	E	664	664	3.49
12	E	664	664	3.49

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.923
N2	0.000	0.000	0.722
H3	0.000	-1.164	-1.232
H4	-1.008	0.582	-1.232
H5	1.008	0.582	-1.232
H6	0.000	0.944	1.086
H7	-0.818	-0.472	1.086
H8	0.818	-0.472	1.086

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6453	1.2041	1.2041	1.2041	2.2201	2.2201	2.2201
N2	1.6453		2.2744	2.2744	2.2744	1.0119	1.0119	1.0119
H3	1.2041	2.2744		2.0157	2.0157	3.1332	2.5536	2.5536
H4	1.2041	2.2744	2.0157		2.0157	2.5536	2.5536	3.1332
H5	1.2041	2.2744	2.0157	2.0157		2.5536	3.1332	2.5536
H6	2.2201	1.0119	3.1332	2.5536	2.5536		1.6353	1.6353
H7	2.2201	1.0119	2.5536	2.5536	3.1332	1.6353		1.6353
H8	2.2201	1.0119	2.5536	3.1332	2.5536	1.6353	1.6353

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	111.085	B1	N2	H7	111.085
B1	N2	H8	111.085	N2	B1	H3	104.863
N2	B1	H4	104.863	N2	B1	H5	104.863
H3	B1	H4	113.660	H3	B1	H5	113.660
H4	B1	H5	113.660	H6	N2	H7	107.811
H6	N2	H8	107.811	H7	N2	H8	107.811

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

using model chemistry: MP3=FULL/6-31G(2df,p)

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: MP3=FULL/6-31G(2df,p)

States and conformations

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