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	hartrees
Energy at 0K	-83.176984
Energy at 298.15K	-83.183824
HF Energy	-83.046100
Nuclear repulsion energy	40.691252

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	3483	3342	2.47	126.70	0.00	0.00
2	A₁	2466	2366	57.48	261.76	0.02	0.03
3	A₁	1338	1284	120.56	1.07	0.26	0.41
4	A₁	1208	1158	143.24	1.43	0.17	0.30
5	A₁	660	634	13.08	5.65	0.35	0.52
6	A₂	258	247	0.00	0.00	0.75	0.86
7	E	3589	3443	36.51	34.71	0.75	0.86
7	E	3589	3443	36.50	34.71	0.75	0.86
8	E	2520	2418	261.03	62.72	0.75	0.86
8	E	2520	2418	261.04	62.72	0.75	0.86
9	E	1678	1610	26.47	3.18	0.75	0.86
9	E	1678	1610	26.47	3.18	0.75	0.86
10	E	1213	1164	5.85	3.67	0.75	0.86
10	E	1213	1164	5.85	3.67	0.75	0.86
11	E	1077	1033	28.54	1.25	0.75	0.86
11	E	1077	1033	28.54	1.25	0.75	0.86
12	E	650	623	1.29	0.29	0.75	0.86
12	E	650	623	1.29	0.29	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.928
N2	0.000	0.000	0.726
H3	0.000	-1.164	-1.237
H4	-1.008	0.582	-1.237
H5	1.008	0.582	-1.237
H6	0.000	0.946	1.089
H7	-0.819	-0.473	1.089
H8	0.819	-0.473	1.089

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6539	1.2046	1.2046	1.2046	2.2271	2.2271	2.2271
N2	1.6539		2.2829	2.2829	2.2829	1.0130	1.0130	1.0130
H3	1.2046	2.2829		2.0162	2.0162	3.1406	2.5611	2.5611
H4	1.2046	2.2829	2.0162		2.0162	2.5611	2.5611	3.1406
H5	1.2046	2.2829	2.0162	2.0162		2.5611	3.1406	2.5611
H6	2.2271	1.0130	3.1406	2.5611	2.5611		1.6386	1.6386
H7	2.2271	1.0130	2.5611	2.5611	3.1406	1.6386		1.6386
H8	2.2271	1.0130	2.5611	3.1406	2.5611	1.6386	1.6386

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	110.955	B1	N2	H7	110.955
B1	N2	H8	110.955	N2	B1	H3	104.907
N2	B1	H4	104.907	N2	B1	H5	104.907
H3	B1	H4	113.624	H3	B1	H5	113.624
H4	B1	H5	113.624	H6	N2	H7	107.947
H6	N2	H8	107.947	H7	N2	H8	107.947

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

using model chemistry: B2PLYP=FULL/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

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