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	hartrees
Energy at 0K	-82.968021
Energy at 298.15K	-82.974893
HF Energy	-82.629196
Nuclear repulsion energy	40.702774

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	3519	3323	9.71	75.86	0.00	0.00
2	A₁	2532	2391	63.53	105.39	0.03	0.06
3	A₁	1340	1266	125.67	2.68	0.31	0.47
4	A₁	1233	1164	113.50	2.77	0.69	0.82
5	A₁	689	650	10.24	4.27	0.24	0.38
6	A₂	270	255	0.00	0.00	0.00	0.00
7	E	3654	3451	47.57	35.39	0.75	0.86
7	E	3654	3451	47.57	35.39	0.75	0.86
8	E	2610	2466	193.68	44.47	0.75	0.86
8	E	2610	2466	193.68	44.47	0.75	0.86
9	E	1686	1593	27.55	5.79	0.75	0.86
9	E	1686	1593	27.55	5.79	0.75	0.86
10	E	1239	1170	4.18	13.66	0.75	0.86
10	E	1239	1170	4.18	13.66	0.75	0.86
11	E	1093	1032	32.45	6.97	0.75	0.86
11	E	1093	1032	32.45	6.97	0.75	0.86
12	E	652	616	3.79	0.26	0.75	0.86
12	E	652	616	3.79	0.26	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.927
N2	0.000	0.000	0.723
H3	0.000	-1.166	-1.233
H4	-1.010	0.583	-1.233
H5	1.010	0.583	-1.233
H6	0.000	0.947	1.089
H7	-0.820	-0.473	1.089
H8	0.820	-0.473	1.089

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6501	1.2053	1.2053	1.2053	2.2271	2.2271	2.2271
N2	1.6501		2.2773	2.2773	2.2773	1.0151	1.0151	1.0151
H3	1.2053	2.2773		2.0192	2.0192	3.1392	2.5580	2.5580
H4	1.2053	2.2773	2.0192		2.0192	2.5580	2.5580	3.1392
H5	1.2053	2.2773	2.0192	2.0192		2.5580	3.1392	2.5580
H6	2.2271	1.0151	3.1392	2.5580	2.5580		1.6401	1.6401
H7	2.2271	1.0151	2.5580	2.5580	3.1392	1.6401		1.6401
H8	2.2271	1.0151	2.5580	3.1392	2.5580	1.6401	1.6401

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	111.116	B1	N2	H7	111.116
B1	N2	H8	111.116	N2	B1	H3	104.715
N2	B1	H4	104.715	N2	B1	H5	104.715
H3	B1	H4	113.780	H3	B1	H5	113.780
H4	B1	H5	113.780	H6	N2	H7	107.778
H6	N2	H8	107.778	H7	N2	H8	107.778

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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