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	hartrees
Energy at 0K	-82.965256
Energy at 298.15K	-82.972162
HF Energy	-82.649589
Nuclear repulsion energy	40.620365

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	3501	3319	6.14	97.21	0.00	0.00
2	A₁	2502	2372	69.09	172.71	0.03	0.06
3	A₁	1361	1290	119.57	3.54	0.37	0.54
4	A₁	1232	1168	143.76	0.81	0.23	0.37
5	A₁	680	644	15.78	4.57	0.33	0.50
6	A₂	289	274	0.00	0.00	0.00	0.00
7	E	3629	3440	38.38	36.79	0.75	0.86
7	E	3629	3440	38.38	36.79	0.75	0.86
8	E	2571	2437	252.82	53.65	0.75	0.86
8	E	2571	2437	252.82	53.65	0.75	0.86
9	E	1667	1580	26.01	6.46	0.75	0.86
9	E	1667	1580	26.01	6.46	0.75	0.86
10	E	1232	1168	7.21	10.29	0.75	0.86
10	E	1232	1168	7.21	10.29	0.75	0.86
11	E	1097	1040	40.15	7.50	0.75	0.86
11	E	1097	1040	40.15	7.50	0.75	0.86
12	E	657	623	1.32	0.34	0.75	0.86
12	E	657	623	1.32	0.34	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.930
N2	0.000	0.000	0.726
H3	0.000	-1.168	-1.236
H4	-1.011	0.584	-1.236
H5	1.011	0.584	-1.236
H6	0.000	0.947	1.093
H7	-0.820	-0.473	1.093
H8	0.820	-0.473	1.093

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6564	1.2070	1.2070	1.2070	2.2338	2.2338	2.2338
N2	1.6564		2.2829	2.2829	2.2829	1.0153	1.0153	1.0153
H3	1.2070	2.2829		2.0227	2.0227	3.1454	2.5645	2.5645
H4	1.2070	2.2829	2.0227		2.0227	2.5645	2.5645	3.1454
H5	1.2070	2.2829	2.0227	2.0227		2.5645	3.1454	2.5645
H6	2.2338	1.0153	3.1454	2.5645	2.5645		1.6397	1.6397
H7	2.2338	1.0153	2.5645	2.5645	3.1454	1.6397		1.6397
H8	2.2338	1.0153	2.5645	3.1454	2.5645	1.6397	1.6397

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	111.188	B1	N2	H7	111.188
B1	N2	H8	111.188	N2	B1	H3	104.650
N2	B1	H4	104.650	N2	B1	H5	104.650
H3	B1	H4	113.832	H3	B1	H5	113.832
H4	B1	H5	113.832	H6	N2	H7	107.701
H6	N2	H8	107.701	H7	N2	H8	107.701

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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