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	hartrees
Energy at 0K	-82.923201
Energy at 298.15K	-82.930071
HF Energy	-82.624390
Nuclear repulsion energy	40.624473

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	3540	3315	7.77	81.52	0.00	0.01
2	A₁	2551	2389	69.29	106.56	0.03	0.07
3	A₁	1370	1283	141.36	4.61	0.29	0.45
4	A₁	1243	1165	123.85	4.89	0.68	0.81
5	A₁	671	628	14.31	3.30	0.26	0.41
6	A₂	274	257	0.00	0.00	0.00	0.00
7	E	3683	3449	38.48	41.37	0.75	0.86
7	E	3683	3449	38.48	41.37	0.75	0.86
8	E	2629	2462	230.47	43.19	0.75	0.86
8	E	2629	2462	230.47	43.19	0.75	0.86
9	E	1712	1603	29.47	7.98	0.75	0.86
9	E	1712	1603	29.47	7.98	0.75	0.86
10	E	1253	1174	8.18	15.60	0.75	0.86
10	E	1253	1174	8.18	15.60	0.75	0.86
11	E	1099	1029	44.08	13.71	0.75	0.86
11	E	1099	1029	44.08	13.71	0.75	0.86
12	E	653	611	2.49	0.73	0.75	0.86
12	E	653	611	2.49	0.73	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.933
N2	0.000	0.000	0.727
H3	0.000	-1.166	-1.233
H4	-1.009	0.583	-1.233
H5	1.009	0.583	-1.233
H6	0.000	0.947	1.092
H7	-0.820	-0.474	1.092
H8	0.820	-0.474	1.092

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6603	1.2034	1.2034	1.2034	2.2356	2.2356	2.2356
N2	1.6603		2.2800	2.2800	2.2800	1.0150	1.0150	1.0150
H3	1.2034	2.2800		2.0188	2.0188	3.1410	2.5601	2.5601
H4	1.2034	2.2800	2.0188		2.0188	2.5601	2.5601	3.1410
H5	1.2034	2.2800	2.0188	2.0188		2.5601	3.1410	2.5601
H6	2.2356	1.0150	3.1410	2.5601	2.5601		1.6406	1.6406
H7	2.2356	1.0150	2.5601	2.5601	3.1410	1.6406		1.6406
H8	2.2356	1.0150	2.5601	3.1410	2.5601	1.6406	1.6406

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	111.058	B1	N2	H7	111.058
B1	N2	H8	111.058	N2	B1	H3	104.402
N2	B1	H4	104.402	N2	B1	H5	104.402
H3	B1	H4	114.030	H3	B1	H5	114.030
H4	B1	H5	114.030	H6	N2	H7	107.839
H6	N2	H8	107.839	H7	N2	H8	107.839

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

using model chemistry: MP2/6-31G**

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: MP2/6-31G**

States and conformations

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