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	hartrees
Energy at 0K	-82.643902
Energy at 298.15K	-82.650810
HF Energy	-82.643902
Nuclear repulsion energy	40.543265

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	3688	3350	11.79	78.97	0.01	0.01
2	A₁	2496	2267	88.71	183.07	0.03	0.07
3	A₁	1449	1316	154.65	1.41	0.27	0.43
4	A₁	1273	1157	176.53	1.73	0.74	0.85
5	A₁	614	558	31.73	2.93	0.40	0.57
6	A₂	275	250	0.00	0.00	0.00	0.00
7	E	3799	3452	39.42	39.42	0.75	0.86
7	E	3799	3452	39.42	39.42	0.75	0.86
8	E	2529	2297	353.96	70.62	0.75	0.86
8	E	2529	2297	353.96	70.62	0.75	0.86
9	E	1799	1635	29.80	5.11	0.75	0.86
9	E	1799	1635	29.80	5.11	0.75	0.86
10	E	1276	1159	13.47	13.26	0.75	0.86
10	E	1276	1159	13.47	13.26	0.75	0.86
11	E	1129	1026	45.65	11.81	0.75	0.86
11	E	1129	1026	45.65	11.81	0.75	0.86
12	E	687	624	0.77	1.50	0.75	0.86
12	E	687	624	0.77	1.50	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.941
N2	0.000	0.000	0.738
H3	0.000	-1.171	-1.247
H4	-1.014	0.585	-1.247
H5	1.014	0.585	-1.247
H6	0.000	0.937	1.093
H7	-0.812	-0.469	1.093
H8	0.812	-0.469	1.093

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6788	1.2102	1.2102	1.2102	2.2397	2.2397	2.2397
N2	1.6788		2.3042	2.3042	2.3042	1.0023	1.0023	1.0023
H3	1.2102	2.3042		2.0281	2.0281	3.1495	2.5744	2.5744
H4	1.2102	2.3042	2.0281		2.0281	2.5744	2.5744	3.1495
H5	1.2102	2.3042	2.0281	2.0281		2.5744	3.1495	2.5744
H6	2.2397	1.0023	3.1495	2.5744	2.5744		1.6233	1.6233
H7	2.2397	1.0023	2.5744	2.5744	3.1495	1.6233		1.6233
H8	2.2397	1.0023	2.5744	3.1495	2.5744	1.6233	1.6233

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	110.769	B1	N2	H7	110.769
B1	N2	H8	110.769	N2	B1	H3	104.632
N2	B1	H4	104.632	N2	B1	H5	104.632
H3	B1	H4	113.846	H3	B1	H5	113.846
H4	B1	H5	113.846	H6	N2	H7	108.143
H6	N2	H8	108.143	H7	N2	H8	108.143

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

using model chemistry: HF/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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Number	Element	Mulliken
1	B	0.018
2	N	-0.367
3	H	-0.121
4	H	-0.121
5	H	-0.121
6	H	0.238
7	H	0.238
8	H	0.238

<r²>	33.477
(<r²>)^1/2	5.786

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

using model chemistry: HF/6-311G**

States and conformations

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