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	hartrees
Energy at 0K	-83.195440
Energy at 298.15K	-83.202280
HF Energy	-83.195440
Nuclear repulsion energy	40.533139

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3488	3349	2.98
2	A₁	2452	2354	68.60
3	A₁	1339	1286	124.95
4	A₁	1177	1130	108.33
5	A₁	662	636	14.87
6	A₂	279	268	0.00
7	E	3612	3468	39.07
7	E	3612	3468	39.07
8	E	2511	2410	271.50
8	E	2511	2410	271.53
9	E	1676	1609	32.41
9	E	1676	1609	32.41
10	E	1180	1133	1.37
10	E	1180	1133	1.37
11	E	1065	1023	40.77
11	E	1065	1023	40.78
12	E	649	623	1.64
12	E	649	623	1.64

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.929
N2	0.000	0.000	0.728
H3	0.000	-1.173	-1.242
H4	-1.016	0.586	-1.242
H5	1.016	0.586	-1.242
H6	0.000	0.950	1.092
H7	-0.822	-0.475	1.092
H8	0.822	-0.475	1.092

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6565	1.2139	1.2139	1.2139	2.2327	2.2327	2.2327
N2	1.6565		2.2925	2.2925	2.2925	1.0171	1.0171	1.0171
H3	1.2139	2.2925		2.0313	2.0313	3.1547	2.5712	2.5712
H4	1.2139	2.2925	2.0313		2.0313	2.5712	2.5712	3.1547
H5	1.2139	2.2925	2.0313	2.0313		2.5712	3.1547	2.5712
H6	2.2327	1.0171	3.1547	2.5712	2.5712		1.6449	1.6449
H7	2.2327	1.0171	2.5712	2.5712	3.1547	1.6449		1.6449
H8	2.2327	1.0171	2.5712	3.1547	2.5712	1.6449	1.6449

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	110.980	B1	N2	H7	110.980
B1	N2	H8	110.980	N2	B1	H3	104.959
N2	B1	H4	104.959	N2	B1	H5	104.959
H3	B1	H4	113.581	H3	B1	H5	113.581
H4	B1	H5	113.581	H6	N2	H7	107.921
H6	N2	H8	107.921	H7	N2	H8	107.921

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

using model chemistry: B3PW91/6-31+G**

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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Number	Element	Mulliken
1	B	-0.079
2	N	-0.823
3	H	-0.066
4	H	-0.066
5	H	-0.066
6	H	0.366
7	H	0.366
8	H	0.366

<r²>	33.224
(<r²>)^1/2	5.764

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

using model chemistry: B3PW91/6-31+G**

States and conformations

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