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	hartrees
Energy at 0K	-83.052120
Energy at 298.15K	-83.058976
HF Energy	-82.659002
Nuclear repulsion energy	40.770818

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	3495	3319	4.37	122.77	0.00	0.00
2	A₁	2483	2358	57.37	258.33	0.02	0.03
3	A₁	1329	1262	130.71	0.42	0.26	0.42
4	A₁	1211	1150	143.16	1.08	0.21	0.34
5	A₁	686	651	12.03	6.28	0.33	0.49
6	A₂	263	250	0.00	0.00	0.75	0.85
7	E	3624	3442	46.38	30.00	0.75	0.86
7	E	3624	3442	46.38	30.00	0.75	0.86
8	E	2549	2421	255.38	58.23	0.75	0.86
8	E	2549	2421	255.38	58.23	0.75	0.86
9	E	1676	1591	26.72	2.88	0.75	0.86
9	E	1676	1591	26.72	2.88	0.75	0.86
10	E	1217	1156	6.08	3.72	0.75	0.86
10	E	1217	1156	6.08	3.72	0.75	0.86
11	E	1080	1026	29.43	1.12	0.75	0.86
11	E	1080	1026	29.43	1.12	0.75	0.86
12	E	648	616	1.22	0.32	0.75	0.86
12	E	648	616	1.22	0.32	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.924
N2	0.000	0.000	0.723
H3	0.000	-1.165	-1.233
H4	-1.009	0.583	-1.233
H5	1.009	0.583	-1.233
H6	0.000	0.945	1.086
H7	-0.819	-0.473	1.086
H8	0.819	-0.473	1.086

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6469	1.2054	1.2054	1.2054	2.2206	2.2206	2.2206
N2	1.6469		2.2764	2.2764	2.2764	1.0123	1.0123	1.0123
H3	1.2054	2.2764		2.0182	2.0182	3.1349	2.5541	2.5541
H4	1.2054	2.2764	2.0182		2.0182	2.5541	2.5541	3.1349
H5	1.2054	2.2764	2.0182	2.0182		2.5541	3.1349	2.5541
H6	2.2206	1.0123	3.1349	2.5541	2.5541		1.6371	1.6371
H7	2.2206	1.0123	2.5541	2.5541	3.1349	1.6371		1.6371
H8	2.2206	1.0123	2.5541	3.1349	2.5541	1.6371	1.6371

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	110.985	B1	N2	H7	110.985
B1	N2	H8	110.985	N2	B1	H3	104.839
N2	B1	H4	104.839	N2	B1	H5	104.839
H3	B1	H4	113.679	H3	B1	H5	113.679
H4	B1	H5	113.679	H6	N2	H7	107.916
H6	N2	H8	107.916	H7	N2	H8	107.916

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

using model chemistry: MP2/aug-cc-pVQZ

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/aug-cc-pVQZ

States and conformations

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