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	hartrees
Energy at 0K	-83.120283
Energy at 298.15K	-83.127134
HF Energy	-83.019374
Nuclear repulsion energy	40.514915

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	3500	3328	4.19	100.38	0.00	0.00
2	A₁	2493	2370	70.32	174.00	0.02	0.04
3	A₁	1361	1294	131.54	3.16	0.28	0.44
4	A₁	1209	1150	133.41	0.45	0.19	0.32
5	A₁	645	614	19.57	5.67	0.34	0.51
6	A₂	281	267	0.00	0.00	0.75	0.86
7	E	3626	3448	38.29	36.25	0.75	0.86
7	E	3626	3448	38.29	36.25	0.75	0.86
8	E	2548	2424	281.54	62.59	0.75	0.86
8	E	2548	2424	281.55	62.60	0.75	0.86
9	E	1695	1612	31.81	5.64	0.75	0.86
9	E	1695	1612	31.81	5.64	0.75	0.86
10	E	1214	1154	4.26	6.70	0.75	0.86
10	E	1214	1154	4.26	6.70	0.75	0.86
11	E	1080	1027	41.16	8.21	0.75	0.86
11	E	1080	1027	41.16	8.21	0.75	0.86
12	E	650	618	1.31	1.12	0.75	0.86
12	E	650	618	1.31	1.12	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.935
N2	0.000	0.000	0.730
H3	0.000	-1.169	-1.240
H4	-1.012	0.584	-1.240
H5	1.012	0.584	-1.240
H6	0.000	0.948	1.095
H7	-0.821	-0.474	1.095
H8	0.821	-0.474	1.095

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6652	1.2077	1.2077	1.2077	2.2406	2.2406	2.2406
N2	1.6652		2.2908	2.2908	2.2908	1.0161	1.0161	1.0161
H3	1.2077	2.2908		2.0239	2.0239	3.1518	2.5709	2.5709
H4	1.2077	2.2908	2.0239		2.0239	2.5709	2.5709	3.1518
H5	1.2077	2.2908	2.0239	2.0239		2.5709	3.1518	2.5709
H6	2.2406	1.0161	3.1518	2.5709	2.5709		1.6426	1.6426
H7	2.2406	1.0161	2.5709	2.5709	3.1518	1.6426		1.6426
H8	2.2406	1.0161	2.5709	3.1518	2.5709	1.6426	1.6426

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	111.039	B1	N2	H7	111.039
B1	N2	H8	111.039	N2	B1	H3	104.634
N2	B1	H4	104.634	N2	B1	H5	104.634
H3	B1	H4	113.844	H3	B1	H5	113.844
H4	B1	H5	113.844	H6	N2	H7	107.859
H6	N2	H8	107.859	H7	N2	H8	107.859

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

using model chemistry: B2PLYP=FULL/6-31+G**

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: B2PLYP=FULL/6-31+G**

States and conformations

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