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	hartrees
Energy at 0K	-83.095369
Energy at 298.15K	-83.102251
HF Energy	-82.652811
Nuclear repulsion energy	40.798870

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3494	3347
2	A₁	2470	2367
3	A₁	1340	1284
4	A₁	1212	1161
5	A₁	694	665
6	A₂	272	261
7	E	3604	3453
7	E	3604	3453
8	E	2532	2425
8	E	2532	2425
9	E	1684	1614
9	E	1683	1613
10	E	1222	1171
10	E	1222	1171
11	E	1084	1038
11	E	1084	1038
12	E	653	626
12	E	653	626

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.921
N2	0.000	0.000	0.723
H3	0.000	-1.161	-1.238
H4	-1.005	0.580	-1.238
H5	1.005	0.580	-1.238
H6	0.000	0.946	1.085
H7	-0.819	-0.473	1.085
H8	0.819	-0.473	1.085

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6443	1.2032	1.2032	1.2032	2.2176	2.2176	2.2176
N2	1.6443		2.2789	2.2789	2.2789	1.0126	1.0126	1.0126
H3	1.2032	2.2789		2.0104	2.0104	3.1357	2.5571	2.5571
H4	1.2032	2.2789	2.0104		2.0104	2.5571	2.5571	3.1357
H5	1.2032	2.2789	2.0104	2.0104		2.5571	3.1357	2.5571
H6	2.2176	1.0126	3.1357	2.5571	2.5571		1.6383	1.6383
H7	2.2176	1.0126	2.5571	2.5571	3.1357	1.6383		1.6383
H8	2.2176	1.0126	2.5571	3.1357	2.5571	1.6383	1.6383

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	110.916	B1	N2	H7	110.916
B1	N2	H8	110.916	N2	B1	H3	105.271
N2	B1	H4	105.271	N2	B1	H5	105.271
H3	B1	H4	113.325	H3	B1	H5	113.325
H4	B1	H5	113.325	H6	N2	H7	107.988
H6	N2	H8	107.988	H7	N2	H8	107.988

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

using model chemistry: CCSD(T)=FULL/cc-pVTZ

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)=FULL/cc-pVTZ

States and conformations

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