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	hartrees
Energy at 0K	-83.105900
Energy at 298.15K	-83.112746
HF Energy	-82.653435
Nuclear repulsion energy	40.733685

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3486	3379
2	A₁	2457	2381
3	A₁	1333	1292
4	A₁	1205	1168
5	A₁	682	662
6	A₂	259	251
7	E	3589	3479
7	E	3589	3479
8	E	2523	2446
8	E	2523	2446
9	E	1675	1623
9	E	1674	1622
10	E	1224	1186
10	E	1224	1186
11	E	1080	1047
11	E	1080	1047
12	E	642	622
12	E	642	622

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.925
N2	0.000	0.000	0.724
H3	0.000	-1.165	-1.234
H4	-1.009	0.583	-1.234
H5	1.009	0.583	-1.234
H6	0.000	0.947	1.085
H7	-0.820	-0.473	1.085
H8	0.820	-0.473	1.085

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6489	1.2057	1.2057	1.2057	2.2221	2.2221	2.2221
N2	1.6489		2.2784	2.2784	2.2784	1.0136	1.0136	1.0136
H3	1.2057	2.2784		2.0186	2.0186	3.1369	2.5553	2.5553
H4	1.2057	2.2784	2.0186		2.0186	2.5553	2.5553	3.1369
H5	1.2057	2.2784	2.0186	2.0186		2.5553	3.1369	2.5553
H6	2.2221	1.0136	3.1369	2.5553	2.5553		1.6402	1.6402
H7	2.2221	1.0136	2.5553	2.5553	3.1369	1.6402		1.6402
H8	2.2221	1.0136	2.5553	3.1369	2.5553	1.6402	1.6402

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	110.887	B1	N2	H7	110.887
B1	N2	H8	110.887	N2	B1	H3	104.842
N2	B1	H4	104.842	N2	B1	H5	104.842
H3	B1	H4	113.676	H3	B1	H5	113.676
H4	B1	H5	113.677	H6	N2	H7	108.019
H6	N2	H8	108.019	H7	N2	H8	108.019

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

using model chemistry: MP4=FULL/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

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