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	hartrees
Energy at 0K	-82.963264
Energy at 298.15K	-82.970115
HF Energy	-82.624368
Nuclear repulsion energy	40.542208

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3517	3336
2	A₁	2517	2387
3	A₁	1376	1305
4	A₁	1232	1169
5	A₁	663	629
6	A₂	269	255
7	E	3647	3459
7	E	3647	3459
8	E	2589	2456
8	E	2589	2456
9	E	1712	1624
9	E	1711	1623
10	E	1239	1176
10	E	1239	1175
11	E	1091	1034
11	E	1091	1034
12	E	649	616
12	E	649	616

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.936
N2	0.000	0.000	0.729
H3	0.000	-1.169	-1.235
H4	-1.012	0.584	-1.235
H5	1.012	0.584	-1.235
H6	0.000	0.948	1.094
H7	-0.821	-0.474	1.094
H8	0.821	-0.474	1.094

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6642	1.2062	1.2062	1.2062	2.2407	2.2407	2.2407
N2	1.6642		2.2848	2.2848	2.2848	1.0163	1.0163	1.0163
H3	1.2062	2.2848		2.0240	2.0240	3.1474	2.5656	2.5656
H4	1.2062	2.2848	2.0240		2.0240	2.5656	2.5656	3.1474
H5	1.2062	2.2848	2.0240	2.0240		2.5656	3.1474	2.5656
H6	2.2407	1.0163	3.1474	2.5656	2.5656		1.6422	1.6422
H7	2.2407	1.0163	2.5656	2.5656	3.1474	1.6422		1.6422
H8	2.2407	1.0163	2.5656	3.1474	2.5656	1.6422	1.6422

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	111.107	B1	N2	H7	111.107
B1	N2	H8	111.107	N2	B1	H3	104.357
N2	B1	H4	104.357	N2	B1	H5	104.357
H3	B1	H4	114.065	H3	B1	H5	114.065
H4	B1	H5	114.065	H6	N2	H7	107.787
H6	N2	H8	107.787	H7	N2	H8	107.787

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

using model chemistry: CCSD(T)/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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All results from a given calculation for BH3NH3 (borane ammonia)

using model chemistry: CCSD(T)/6-31G**

States and conformations

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