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	hartrees
Energy at 0K	-82.103119
Energy at 298.15K	-82.109902
HF Energy	-82.103119
Nuclear repulsion energy	40.059379

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	3395	3141	3.41	76.16	0.00	0.00
2	A₁	2785	2577	20.25	30.75	0.04	0.08
3	A₁	1421	1315	69.08	19.24	0.37	0.54
4	A₁	1371	1268	110.14	1.02	0.37	0.54
5	A₁	735	680	1.53	1.77	0.37	0.54
6	A₂	264	244	0.00	0.00	0.75	0.86
7	E	3608	3338	3.59	40.22	0.75	0.86
7	E	3608	3338	3.60	40.22	0.75	0.86
8	E	2944	2723	53.77	19.35	0.75	0.86
8	E	2944	2723	53.77	19.35	0.75	0.86
9	E	1770	1638	11.44	14.37	0.75	0.86
9	E	1770	1638	11.44	14.37	0.75	0.86
10	E	1410	1305	9.41	12.04	0.75	0.86
10	E	1410	1305	9.41	12.04	0.75	0.86
11	E	1166	1079	38.74	7.18	0.75	0.86
11	E	1166	1079	38.74	7.18	0.75	0.86
12	E	702	649	18.84	1.59	0.75	0.86
12	E	702	649	18.84	1.59	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.948
N2	0.000	0.000	0.721
H3	0.000	-1.145	-1.236
H4	-0.992	0.573	-1.236
H5	0.992	0.573	-1.236
H6	0.000	0.982	1.133
H7	-0.851	-0.491	1.133
H8	0.851	-0.491	1.133

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6690	1.1809	1.1809	1.1809	2.3004	2.3004	2.3004
N2	1.6690		2.2680	2.2680	2.2680	1.0647	1.0647	1.0647
H3	1.1809	2.2680		1.9834	1.9834	3.1839	2.6006	2.6006
H4	1.1809	2.2680	1.9834		1.9834	2.6006	2.6006	3.1839
H5	1.1809	2.2680	1.9834	1.9834		2.6006	3.1839	2.6006
H6	2.3004	1.0647	3.1839	2.6006	2.6006		1.7011	1.7011
H7	2.3004	1.0647	2.6006	2.6006	3.1839	1.7011		1.7011
H8	2.3004	1.0647	2.6006	3.1839	2.6006	1.7011	1.7011

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	112.722	B1	N2	H7	112.722
B1	N2	H8	112.722	N2	B1	H3	104.150
N2	B1	H4	104.150	N2	B1	H5	104.150
H3	B1	H4	114.227	H3	B1	H5	114.227
H4	B1	H5	114.227	H6	N2	H7	106.034
H6	N2	H8	106.034	H7	N2	H8	106.034

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

using model chemistry: BLYP/STO-3G

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	-0.031
2	N	-0.351
3	H	-0.112
4	H	-0.112
5	H	-0.112
6	H	0.239
7	H	0.239
8	H	0.239

<r²>	32.277
(<r²>)^1/2	5.681

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

using model chemistry: BLYP/STO-3G

States and conformations

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