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	hartrees
Energy at 0K	-82.969423
Energy at 298.15K	-82.976280
HF Energy	-82.623526
Nuclear repulsion energy	40.326634

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3475	3354
2	A₁	2465	2379
3	A₁	1333	1287
4	A₁	1199	1157
5	A₁	672	648
6	A₂	279	269
7	E	3604	3479
7	E	3604	3479
8	E	2534	2445
8	E	2534	2445
9	E	1663	1605
9	E	1662	1604
10	E	1200	1158
10	E	1200	1158
11	E	1069	1032
11	E	1069	1032
12	E	645	623
12	E	645	622

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.932
N2	0.000	0.000	0.726
H3	0.000	-1.185	-1.243
H4	-1.027	0.593	-1.243
H5	1.027	0.593	-1.243
H6	0.000	0.952	1.102
H7	-0.825	-0.476	1.102
H8	0.825	-0.476	1.102

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6588	1.2254	1.2254	1.2254	2.2466	2.2466	2.2466
N2	1.6588		2.2988	2.2988	2.2988	1.0239	1.0239	1.0239
H3	1.2254	2.2988		2.0531	2.0531	3.1736	2.5855	2.5855
H4	1.2254	2.2988	2.0531		2.0531	2.5855	2.5855	3.1736
H5	1.2254	2.2988	2.0531	2.0531		2.5855	3.1736	2.5855
H6	2.2466	1.0239	3.1736	2.5855	2.5855		1.6496	1.6496
H7	2.2466	1.0239	2.5855	2.5855	3.1736	1.6496		1.6496
H8	2.2466	1.0239	2.5855	3.1736	2.5855	1.6496	1.6496

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	111.539	B1	N2	H7	111.539
B1	N2	H8	111.539	N2	B1	H3	104.696
N2	B1	H4	104.696	N2	B1	H5	104.696
H3	B1	H4	113.795	H3	B1	H5	113.795
H4	B1	H5	113.795	H6	N2	H7	107.326
H6	N2	H8	107.326	H7	N2	H8	107.326

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

using model chemistry: MP4=FULL/cc-pVDZ

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/cc-pVDZ

States and conformations

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