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	hartrees
Energy at 0K	-83.059656
Energy at 298.15K	-83.066526
HF Energy	-82.655317
Nuclear repulsion energy	40.819680

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	3498	3498	5.92	102.17	0.00	0.00
2	A₁	2505	2505	65.04	183.02	0.03	0.05
3	A₁	1333	1333	124.19	1.25	0.27	0.42
4	A₁	1225	1225	137.18	0.04	0.26	0.41
5	A₁	690	690	11.80	5.48	0.29	0.45
6	A₂	268	268	0.00	0.00	0.00	0.00
7	E	3627	3627	46.01	31.73	0.75	0.86
7	E	3627	3627	46.01	31.73	0.75	0.86
8	E	2571	2571	243.14	52.85	0.75	0.86
8	E	2571	2571	243.14	52.85	0.75	0.86
9	E	1681	1681	26.00	3.71	0.75	0.86
9	E	1681	1681	26.00	3.71	0.75	0.86
10	E	1233	1233	4.62	6.68	0.75	0.86
10	E	1233	1233	4.62	6.68	0.75	0.86
11	E	1087	1087	30.92	2.98	0.75	0.86
11	E	1087	1087	30.92	2.98	0.75	0.86
12	E	653	653	1.78	0.17	0.75	0.86
12	E	653	653	1.78	0.17	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.923
N2	0.000	0.000	0.723
H3	0.000	-1.161	-1.233
H4	-1.005	0.580	-1.233
H5	1.005	0.580	-1.233
H6	0.000	0.944	1.085
H7	-0.818	-0.472	1.085
H8	0.818	-0.472	1.085

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6454	1.2018	1.2018	1.2018	2.2189	2.2189	2.2189
N2	1.6454		2.2746	2.2746	2.2746	1.0116	1.0116	1.0116
H3	1.2018	2.2746		2.0109	2.0109	3.1318	2.5532	2.5532
H4	1.2018	2.2746	2.0109		2.0109	2.5532	2.5532	3.1318
H5	1.2018	2.2746	2.0109	2.0109		2.5532	3.1318	2.5532
H6	2.2189	1.0116	3.1318	2.5532	2.5532		1.6358	1.6358
H7	2.2189	1.0116	2.5532	2.5532	3.1318	1.6358		1.6358
H8	2.2189	1.0116	2.5532	3.1318	2.5532	1.6358	1.6358

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	110.999	B1	N2	H7	110.999
B1	N2	H8	110.999	N2	B1	H3	104.976
N2	B1	H4	104.976	N2	B1	H5	104.976
H3	B1	H4	113.568	H3	B1	H5	113.568
H4	B1	H5	113.568	H6	N2	H7	107.901
H6	N2	H8	107.901	H7	N2	H8	107.901

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

using model chemistry: MP2=FULL/Def2TZVPP

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: MP2=FULL/Def2TZVPP

States and conformations

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