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	hartrees
Energy at 0K	-82.768413
Energy at 298.15K	-82.775195
HF Energy	-82.591010
Nuclear repulsion energy	39.755696

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	3444	3324	4.88	83.90	0.02	0.04
2	A₁	2424	2340	66.79	127.40	0.03	0.05
3	A₁	1378	1330	203.91	5.50	0.15	0.26
4	A₁	1180	1139	109.98	3.85	0.34	0.50
5	A₁	616	595	33.12	3.61	0.18	0.31
6	A₂	253	244	0.00	0.00	0.75	0.86
7	E	3602	3477	31.49	38.29	0.75	0.86
7	E	3602	3477	31.49	38.29	0.75	0.86
8	E	2512	2425	266.02	40.80	0.75	0.86
8	E	2512	2425	266.02	40.80	0.75	0.86
9	E	1727	1667	42.23	8.54	0.75	0.86
9	E	1727	1667	42.23	8.54	0.75	0.86
10	E	1152	1112	1.69	21.29	0.75	0.86
10	E	1152	1112	1.69	21.29	0.75	0.86
11	E	1076	1039	47.83	12.57	0.75	0.86
11	E	1076	1039	47.83	12.57	0.75	0.86
12	E	656	633	5.31	0.18	0.75	0.86
12	E	656	633	5.31	0.18	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.961
N2	0.000	0.000	0.759
H3	0.000	-1.182	-1.267
H4	-1.024	0.591	-1.267
H5	1.024	0.591	-1.267
H6	0.000	0.969	1.097
H7	-0.839	-0.485	1.097
H8	0.839	-0.485	1.097

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.7201	1.2216	1.2216	1.2216	2.2746	2.2746	2.2746
N2	1.7201		2.3465	2.3465	2.3465	1.0263	1.0263	1.0263
H3	1.2216	2.3465		2.0481	2.0481	3.1969	2.6043	2.6043
H4	1.2216	2.3465	2.0481		2.0481	2.6043	2.6043	3.1969
H5	1.2216	2.3465	2.0481	2.0481		2.6043	3.1969	2.6043
H6	2.2746	1.0263	3.1969	2.6043	2.6043		1.6785	1.6785
H7	2.2746	1.0263	2.6043	2.6043	3.1969	1.6785		1.6785
H8	2.2746	1.0263	2.6043	3.1969	2.6043	1.6785	1.6785

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	109.213	B1	N2	H7	109.213
B1	N2	H8	109.213	N2	B1	H3	104.537
N2	B1	H4	104.537	N2	B1	H5	104.537
H3	B1	H4	113.922	H3	B1	H5	113.922
H4	B1	H5	113.922	H6	N2	H7	109.728
H6	N2	H8	109.728	H7	N2	H8	109.728

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

using model chemistry: MP2/SDD

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: MP2/SDD

States and conformations

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