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	hartrees
Energy at 0K	-242.380258
Energy at 298.15K	-242.389591
Nuclear repulsion energy	198.009922

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3660	3481	0.00
2	A₁'	2655	2525	0.00
3	A₁'	949	903	0.00
4	A₁'	867	825	0.00
5	A₂'	1318	1254	0.00
6	A₂'	1261	1200	0.00
7	A₂'	1041	990	0.00
8	A₂"	933	888	256.51
9	A₂"	736	700	61.13
10	A₂"	398	378	28.62
11	E'	3662	3482	46.35
11	E'	3662	3482	46.34
12	E'	2645	2516	292.03
12	E'	2645	2516	291.97
13	E'	1508	1434	505.19
13	E'	1508	1434	505.22
14	E'	1405	1336	6.61
14	E'	1405	1336	6.60
15	E'	1078	1025	0.60
15	E'	1078	1025	0.60
16	E'	946	900	0.03
16	E'	946	900	0.03
17	E'	521	495	0.57
17	E'	521	495	0.57
18	E"	922	877	0.00
18	E"	922	877	0.00
19	E"	714	679	0.00
19	E"	714	679	0.00
20	E"	286	272	0.00
20	E"	286	272	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.407
N2	1.219	-0.704
N3	-1.219	-0.704
B4	0.000	-1.448
B5	-1.254	0.724
B6	1.254	0.724
H7	0.000	2.417
H8	2.093	-1.208
H9	-2.093	-1.208
H10	0.000	-2.647
H11	-2.293	1.324
H12	2.293	1.324

	N1	N2	N3	B4	B5	B6	H7	H8	H9	H10	H11	H12
N1		2.4378	2.4378	2.8550	1.4279	1.4279	1.0092	3.3500	3.3500	4.0547	2.2941	2.2941
N2	2.4378		2.4378	1.4279	2.8550	1.4279	3.3500	1.0092	3.3500	2.2941	4.0547	2.2941
N3	2.4378	2.4378		1.4279	1.4279	2.8550	3.3500	3.3500	1.0092	2.2941	2.2941	4.0547
B4	2.8550	1.4279	1.4279		2.5072	2.5072	3.8642	2.1065	2.1065	1.1997	3.5965	3.5965
B5	1.4279	2.8550	1.4279	2.5072		2.5072	2.1065	3.8642	2.1065	3.5965	1.1997	3.5965
B6	1.4279	1.4279	2.8550	2.5072	2.5072		2.1065	2.1065	3.8642	3.5965	3.5965	1.1997
H7	1.0092	3.3500	3.3500	3.8642	2.1065	2.1065		4.1858	4.1858	5.0639	2.5398	2.5398
H8	3.3500	1.0092	3.3500	2.1065	3.8642	2.1065	4.1858		4.1858	2.5398	5.0639	2.5398
H9	3.3500	3.3500	1.0092	2.1065	2.1065	3.8642	4.1858	4.1858		2.5398	2.5398	5.0639
H10	4.0547	2.2941	2.2941	1.1997	3.5965	3.5965	5.0639	2.5398	2.5398		4.5852	4.5852
H11	2.2941	4.0547	2.2941	3.5965	1.1997	3.5965	2.5398	5.0639	2.5398	4.5852		4.5852
H12	2.2941	2.2941	4.0547	3.5965	3.5965	1.1997	2.5398	2.5398	5.0639	4.5852	4.5852

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B5	N3	117.218	N1	B5	H11	121.391
N1	B6	N2	117.218	N1	B6	H12	121.391
N2	B4	N3	117.218	N2	B4	H10	121.391
N2	B6	H12	121.391	N3	B4	H10	121.391
N3	B5	H11	121.391	B4	N2	B6	122.782
B4	N2	H8	118.609	B4	N3	B5	122.782
B4	N3	H9	118.609	B5	N1	B6	122.782
B5	N1	H7	118.609	B5	N3	H9	118.609
B6	N1	H7	118.609	B6	N2	H8	118.609

All results from a given calculation for B₃N₃H₆ (borazine)

using model chemistry: HSEh1PBE/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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Number	Element	Mulliken
1	N	-0.586
2	N	-0.586
3	N	-0.586
4	B	0.277
5	B	0.277
6	B	0.277
7	H	0.342
8	H	0.342
9	H	0.342
10	H	-0.033
11	H	-0.033
12	H	-0.033

<r²>	132.958
(<r²>)^1/2	11.531

All results from a given calculation for B3N3H6 (borazine)

using model chemistry: HSEh1PBE/6-31G*

States and conformations

All results from a given calculation for B₃N₃H₆ (borazine)