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	hartrees
Energy at 0K	-83.148169
Energy at 298.15K	-83.155017
HF Energy	-83.148169
Nuclear repulsion energy	40.628462

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	3492	3334	4.84	92.00	0.00	0.00
2	A₁	2490	2378	67.32	114.58	0.03	0.06
3	A₁	1370	1308	127.24	8.49	0.28	0.44
4	A₁	1186	1133	91.87	6.18	0.69	0.82
5	A₁	679	649	10.28	2.17	0.27	0.42
6	A₂	273	260	0.00	0.00	0.75	0.86
7	E	3614	3451	33.71	50.17	0.75	0.86
7	E	3614	3451	33.71	50.17	0.75	0.86
8	E	2557	2442	233.05	49.28	0.75	0.86
8	E	2557	2441	233.13	49.27	0.75	0.86
9	E	1713	1635	32.34	8.60	0.75	0.86
9	E	1713	1635	32.34	8.60	0.75	0.86
10	E	1199	1144	2.12	18.65	0.75	0.86
10	E	1199	1144	2.12	18.65	0.75	0.86
11	E	1077	1028	45.59	12.28	0.75	0.86
11	E	1077	1028	45.58	12.28	0.75	0.86
12	E	648	619	3.11	0.59	0.75	0.86
12	E	648	619	3.11	0.59	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.927
N2	0.000	0.000	0.724
H3	0.000	-1.171	-1.236
H4	-1.014	0.585	-1.236
H5	1.014	0.585	-1.236
H6	0.000	0.948	1.091
H7	-0.821	-0.474	1.091
H8	0.821	-0.474	1.091

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6509	1.2107	1.2107	1.2107	2.2290	2.2290	2.2290
N2	1.6509		2.2832	2.2832	2.2832	1.0165	1.0165	1.0165
H3	1.2107	2.2832		2.0274	2.0274	3.1468	2.5637	2.5637
H4	1.2107	2.2832	2.0274		2.0274	2.5637	2.5637	3.1468
H5	1.2107	2.2832	2.0274	2.0274		2.5637	3.1468	2.5637
H6	2.2290	1.0165	3.1468	2.5637	2.5637		1.6423	1.6423
H7	2.2290	1.0165	2.5637	2.5637	3.1468	1.6423		1.6423
H8	2.2290	1.0165	2.5637	3.1468	2.5637	1.6423	1.6423

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	111.126	B1	N2	H7	111.126
B1	N2	H8	111.126	N2	B1	H3	104.806
N2	B1	H4	104.806	N2	B1	H5	104.806
H3	B1	H4	113.706	H3	B1	H5	113.706
H4	B1	H5	113.706	H6	N2	H7	107.766
H6	N2	H8	107.766	H7	N2	H8	107.766

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

using model chemistry: B1B95/6-31G**

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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Number	Element	Mulliken
1	B	-0.105
2	N	-0.814
3	H	-0.073
4	H	-0.073
5	H	-0.073
6	H	0.380
7	H	0.380
8	H	0.380

<r²>	32.739
(<r²>)^1/2	5.722

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

using model chemistry: B1B95/6-31G**

States and conformations

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