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	hartrees
Energy at 0K	-83.161300
Energy at 298.15K	-83.168155
HF Energy	-83.161300
Nuclear repulsion energy	40.385600

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3471	3324	1.96
2	A₁	2459	2355	63.11
3	A₁	1364	1306	187.52
4	A₁	1187	1137	98.86
5	A₁	663	635	17.13
6	A₂	258	247	0.00
7	E	3614	3461	31.79
7	E	3614	3461	31.79
8	E	2529	2422	253.55
8	E	2529	2422	253.57
9	E	1732	1659	45.37
9	E	1732	1659	45.37
10	E	1196	1146	1.15
10	E	1196	1146	1.15
11	E	1094	1047	52.39
11	E	1094	1047	52.39
12	E	677	649	2.40
12	E	677	648	2.40

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.932
N2	0.000	0.000	0.741
H3	0.000	-1.171	-1.250
H4	-1.014	0.586	-1.250
H5	1.014	0.586	-1.250
H6	0.000	0.962	1.075
H7	-0.833	-0.481	1.075
H8	0.833	-0.481	1.075

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6725	1.2137	1.2137	1.2137	2.2252	2.2252	2.2252
N2	1.6725		2.3093	2.3093	2.3093	1.0181	1.0181	1.0181
H3	1.2137	2.3093		2.0289	2.0289	3.1548	2.5638	2.5638
H4	1.2137	2.3093	2.0289		2.0289	2.5638	2.5638	3.1548
H5	1.2137	2.3093	2.0289	2.0289		2.5638	3.1548	2.5638
H6	2.2252	1.0181	3.1548	2.5638	2.5638		1.6657	1.6657
H7	2.2252	1.0181	2.5638	2.5638	3.1548	1.6657		1.6657
H8	2.2252	1.0181	2.5638	3.1548	2.5638	1.6657	1.6657

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	109.161	B1	N2	H7	109.161
B1	N2	H8	109.161	N2	B1	H3	105.172
N2	B1	H4	105.172	N2	B1	H5	105.172
H3	B1	H4	113.407	H3	B1	H5	113.407
H4	B1	H5	113.407	H6	N2	H7	109.779
H6	N2	H8	109.779	H7	N2	H8	109.779

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

using model chemistry: B3PW91/6-31G

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	-0.022
2	N	-0.838
3	H	-0.085
4	H	-0.085
5	H	-0.085
6	H	0.371
7	H	0.371
8	H	0.371

<r²>	33.110
(<r²>)^1/2	5.754

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

using model chemistry: B3PW91/6-31G

States and conformations

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