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	hartrees
Energy at 0K	-83.114608
Energy at 298.15K	-83.121441
HF Energy	-83.014873
Nuclear repulsion energy	40.557376

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	3504	3504	4.74	90.08	0.00	0.00
2	A₁	2508	2508	68.68	111.18	0.03	0.06
3	A₁	1352	1352	127.50	6.94	0.27	0.42
4	A₁	1219	1219	116.67	4.89	0.68	0.81
5	A₁	649	649	14.77	2.76	0.27	0.43
6	A₂	268	268	0.00	0.00	0.75	0.86
7	E	3630	3630	32.36	46.48	0.75	0.86
7	E	3630	3630	32.36	46.48	0.75	0.86
8	E	2574	2574	233.66	46.32	0.75	0.86
8	E	2574	2574	233.67	46.32	0.75	0.86
9	E	1698	1698	28.62	8.42	0.75	0.86
9	E	1698	1698	28.62	8.42	0.75	0.86
10	E	1228	1228	5.26	16.07	0.75	0.86
10	E	1228	1228	5.26	16.07	0.75	0.86
11	E	1085	1085	42.27	13.12	0.75	0.86
11	E	1085	1085	42.27	13.12	0.75	0.86
12	E	647	647	2.99	0.55	0.75	0.86
12	E	647	647	3.00	0.55	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.934
N2	0.000	0.000	0.729
H3	0.000	-1.167	-1.237
H4	-1.011	0.584	-1.237
H5	1.011	0.584	-1.237
H6	0.000	0.948	1.093
H7	-0.821	-0.474	1.093
H8	0.821	-0.474	1.093

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6634	1.2060	1.2060	1.2060	2.2383	2.2383	2.2383
N2	1.6634		2.2864	2.2864	2.2864	1.0157	1.0157	1.0157
H3	1.2060	2.2864		2.0220	2.0220	3.1472	2.5659	2.5659
H4	1.2060	2.2864	2.0220		2.0220	2.5659	2.5659	3.1472
H5	1.2060	2.2864	2.0220	2.0220		2.5659	3.1472	2.5659
H6	2.2383	1.0157	3.1472	2.5659	2.5659		1.6424	1.6424
H7	2.2383	1.0157	2.5659	2.5659	3.1472	1.6424		1.6424
H8	2.2383	1.0157	2.5659	3.1472	2.5659	1.6424	1.6424

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	111.006	B1	N2	H7	111.006
B1	N2	H8	111.006	N2	B1	H3	104.528
N2	B1	H4	104.528	N2	B1	H5	104.528
H3	B1	H4	113.930	H3	B1	H5	113.930
H4	B1	H5	113.930	H6	N2	H7	107.894
H6	N2	H8	107.894	H7	N2	H8	107.894

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

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

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/6-31G**

States and conformations

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