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	hartrees
Energy at 0K	-242.707497
Energy at 298.15K	-242.716901
Nuclear repulsion energy	197.511358

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3623	3516	0.00
2	A₁'	2619	2542	0.00
3	A₁'	938	910	0.00
4	A₁'	860	834	0.00
5	A₂'	1320	1281	0.00
6	A₂'	1235	1199	0.00
7	A₂'	1030	1000	0.00
8	A₂"	924	897	179.08
9	A₂"	736	714	58.50
10	A₂"	409	397	23.13
11	E'	3625	3518	46.59
11	E'	3625	3518	46.59
12	E'	2608	2531	281.29
12	E'	2608	2531	281.30
13	E'	1478	1435	476.67
13	E'	1478	1435	476.69
14	E'	1384	1343	39.82
14	E'	1384	1343	39.81
15	E'	1069	1038	0.01
15	E'	1069	1038	0.01
16	E'	929	902	0.04
16	E'	929	902	0.04
17	E'	523	507	0.46
17	E'	523	507	0.46
18	E"	917	890	0.00
18	E"	917	890	0.00
19	E"	723	701	0.00
19	E"	723	701	0.00
20	E"	288	280	0.00
20	E"	288	280	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.410
N2	1.221	-0.705
N3	-1.221	-0.705
B4	0.000	-1.453
B5	-1.259	0.727
B6	1.259	0.727
H7	0.000	2.421
H8	2.097	-1.210
H9	-2.097	-1.210
H10	0.000	-2.653
H11	-2.297	1.326
H12	2.297	1.326

	N1	N2	N3	B4	B5	B6	H7	H8	H9	H10	H11	H12
N1		2.4422	2.4422	2.8634	1.4322	1.4322	1.0109	3.3559	3.3559	4.0625	2.2987	2.2987
N2	2.4422		2.4422	1.4322	2.8634	1.4322	3.3559	1.0109	3.3559	2.2987	4.0625	2.2987
N3	2.4422	2.4422		1.4322	1.4322	2.8634	3.3559	3.3559	1.0109	2.2987	2.2987	4.0625
B4	2.8634	1.4322	1.4322		2.5174	2.5174	3.8743	2.1106	2.1106	1.1991	3.6061	3.6061
B5	1.4322	2.8634	1.4322	2.5174		2.5174	2.1106	3.8743	2.1106	3.6061	1.1991	3.6061
B6	1.4322	1.4322	2.8634	2.5174	2.5174		2.1106	2.1106	3.8743	3.6061	3.6061	1.1991
H7	1.0109	3.3559	3.3559	3.8743	2.1106	2.1106		4.1931	4.1931	5.0734	2.5446	2.5446
H8	3.3559	1.0109	3.3559	2.1106	3.8743	2.1106	4.1931		4.1931	2.5446	5.0734	2.5446
H9	3.3559	3.3559	1.0109	2.1106	2.1106	3.8743	4.1931	4.1931		2.5446	2.5446	5.0734
H10	4.0625	2.2987	2.2987	1.1991	3.6061	3.6061	5.0734	2.5446	2.5446		4.5943	4.5943
H11	2.2987	4.0625	2.2987	3.6061	1.1991	3.6061	2.5446	5.0734	2.5446	4.5943		4.5943
H12	2.2987	2.2987	4.0625	3.6061	3.6061	1.1991	2.5446	2.5446	5.0734	4.5943	4.5943

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B5	N3	116.991	N1	B5	H11	121.505
N1	B6	N2	116.991	N1	B6	H12	121.505
N2	B4	N3	116.991	N2	B4	H10	121.505
N2	B6	H12	121.505	N3	B4	H10	121.505
N3	B5	H11	121.505	B4	N2	B6	123.009
B4	N2	H8	118.495	B4	N3	B5	123.009
B4	N3	H9	118.495	B5	N1	B6	123.009
B5	N1	H7	118.495	B5	N3	H9	118.495
B6	N1	H7	118.495	B6	N2	H8	118.495

All results from a given calculation for B₃N₃H₆ (borazine)

using model chemistry: B3LYP/aug-cc-pVDZ

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	0.177
2	N	0.177
3	N	0.177
4	B	-0.653
5	B	-0.653
6	B	-0.653
7	H	-0.246
8	H	-0.246
9	H	-0.246
10	H	0.722
11	H	0.722
12	H	0.722

<r²>	134.546
(<r²>)^1/2	11.599

All results from a given calculation for B3N3H6 (borazine)

using model chemistry: B3LYP/aug-cc-pVDZ

States and conformations

All results from a given calculation for B₃N₃H₆ (borazine)