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	hartrees
Energy at 0K	-83.040194
Energy at 298.15K	-83.047091
HF Energy	-82.643166
Nuclear repulsion energy	40.561550

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3484	3350
2	A₁	2458	2363
3	A₁	1363	1311
4	A₁	1217	1170
5	A₁	682	656
6	A₂	287	276
7	E	3602	3463
7	E	3602	3463
8	E	2520	2423
8	E	2520	2423
9	E	1671	1606
9	E	1670	1605
10	E	1218	1171
10	E	1218	1171
11	E	1086	1044
11	E	1086	1044
12	E	657	632
12	E	657	632

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.929
N2	0.000	0.000	0.726
H3	0.000	-1.172	-1.237
H4	-1.015	0.586	-1.237
H5	1.015	0.586	-1.237
H6	0.000	0.950	1.092
H7	-0.822	-0.475	1.092
H8	0.822	-0.475	1.092

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6549	1.2118	1.2118	1.2118	2.2336	2.2336	2.2336
N2	1.6549		2.2860	2.2860	2.2860	1.0181	1.0181	1.0181
H3	1.2118	2.2860		2.0300	2.0300	3.1509	2.5669	2.5669
H4	1.2118	2.2860	2.0300		2.0300	2.5669	2.5669	3.1509
H5	1.2118	2.2860	2.0300	2.0300		2.5669	3.1509	2.5669
H6	2.2336	1.0181	3.1509	2.5669	2.5669		1.6449	1.6449
H7	2.2336	1.0181	2.5669	2.5669	3.1509	1.6449		1.6449
H8	2.2336	1.0181	2.5669	3.1509	2.5669	1.6449	1.6449

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	111.119	B1	N2	H7	111.119
B1	N2	H8	111.119	N2	B1	H3	104.713
N2	B1	H4	104.713	N2	B1	H5	104.713
H3	B1	H4	113.781	H3	B1	H5	113.781
H4	B1	H5	113.781	H6	N2	H7	107.774
H6	N2	H8	107.774	H7	N2	H8	107.774

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

using model chemistry: MP4=FULL/6-311G**

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: MP4=FULL/6-311G**

States and conformations

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