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	hartrees
Energy at 0K	-83.041774
Energy at 298.15K	-83.048614
HF Energy	-82.979623
Nuclear repulsion energy	40.222035

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	3471	3471	3.44	84.88	0.01	0.02
2	A₁	2481	2481	64.13	117.36	0.03	0.07
3	A₁	1383	1383	188.55	6.69	0.14	0.24
4	A₁	1212	1212	129.39	7.65	0.73	0.85
5	A₁	633	633	22.77	2.10	0.27	0.43
6	A₂	254	254	0.00	0.00	0.75	0.86
7	E	3612	3612	30.27	44.17	0.75	0.86
7	E	3612	3612	30.27	44.17	0.75	0.86
8	E	2546	2546	260.37	47.15	0.75	0.86
8	E	2546	2546	260.37	47.15	0.75	0.86
9	E	1749	1749	42.16	10.15	0.75	0.86
9	E	1749	1749	42.16	10.15	0.75	0.86
10	E	1222	1222	5.70	18.65	0.75	0.86
10	E	1222	1222	5.70	18.65	0.75	0.86
11	E	1100	1100	52.11	19.33	0.75	0.86
11	E	1100	1100	52.11	19.33	0.75	0.86
12	E	673	673	2.11	0.75	0.75	0.86
12	E	673	673	2.11	0.75	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.945
N2	0.000	0.000	0.747
H3	0.000	-1.172	-1.251
H4	-1.015	0.586	-1.251
H5	1.015	0.586	-1.251
H6	0.000	0.962	1.082
H7	-0.833	-0.481	1.082
H8	0.833	-0.481	1.082

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6919	1.2111	1.2111	1.2111	2.2434	2.2434	2.2434
N2	1.6919		2.3167	2.3167	2.3167	1.0182	1.0182	1.0182
H3	1.2111	2.3167		2.0294	2.0294	3.1616	2.5721	2.5721
H4	1.2111	2.3167	2.0294		2.0294	2.5721	2.5721	3.1616
H5	1.2111	2.3167	2.0294	2.0294		2.5721	3.1616	2.5721
H6	2.2434	1.0182	3.1616	2.5721	2.5721		1.6654	1.6654
H7	2.2434	1.0182	2.5721	2.5721	3.1616	1.6654		1.6654
H8	2.2434	1.0182	2.5721	3.1616	2.5721	1.6654	1.6654

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	109.204	B1	N2	H7	109.204
B1	N2	H8	109.204	N2	B1	H3	104.663
N2	B1	H4	104.663	N2	B1	H5	104.663
H3	B1	H4	113.821	H3	B1	H5	113.821
H4	B1	H5	113.821	H6	N2	H7	109.737
H6	N2	H8	109.737	H7	N2	H8	109.737

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

using model chemistry: B2PLYP=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: B2PLYP=FULL/6-31G

States and conformations

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