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	hartrees
Energy at 0K	-242.684588
Energy at 298.15K	-242.693961
Nuclear repulsion energy	197.751615

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3642	3499	0.00
2	A₁'	2650	2546	0.00
3	A₁'	945	908	0.00
4	A₁'	865	831	0.00
5	A₂'	1314	1262	0.00
6	A₂'	1246	1197	0.00
7	A₂'	1052	1011	0.00
8	A₂"	937	900	235.27
9	A₂"	731	702	60.46
10	A₂"	404	388	23.89
11	E'	3644	3501	39.78
11	E'	3644	3501	39.78
12	E'	2640	2536	283.83
12	E'	2640	2536	283.85
13	E'	1492	1434	494.43
13	E'	1492	1434	494.46
14	E'	1400	1345	10.47
14	E'	1400	1345	10.46
15	E'	1081	1038	0.20
15	E'	1081	1038	0.20
16	E'	945	908	0.00
16	E'	945	908	0.00
17	E'	525	504	0.64
17	E'	525	504	0.64
18	E"	928	892	0.00
18	E"	928	892	0.00
19	E"	709	681	0.00
19	E"	709	681	0.00
20	E"	289	278	0.00
20	E"	289	278	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.409
N2	1.221	-0.705
N3	-1.221	-0.705
B4	0.000	-1.451
B5	-1.256	0.725
B6	1.256	0.725
H7	0.000	2.419
H8	2.095	-1.210
H9	-2.095	-1.210
H10	0.000	-2.646
H11	-2.291	1.323
H12	2.291	1.323

	N1	N2	N3	B4	B5	B6	H7	H8	H9	H10	H11	H12
N1		2.4413	2.4413	2.8603	1.4306	1.4306	1.0097	3.3539	3.3539	4.0554	2.2931	2.2931
N2	2.4413		2.4413	1.4306	2.8603	1.4306	3.3539	1.0097	3.3539	2.2931	4.0554	2.2931
N3	2.4413	2.4413		1.4306	1.4306	2.8603	3.3539	3.3539	1.0097	2.2931	2.2931	4.0554
B4	2.8603	1.4306	1.4306		2.5128	2.5128	3.8699	2.1089	2.1089	1.1952	3.5978	3.5978
B5	1.4306	2.8603	1.4306	2.5128		2.5128	2.1089	3.8699	2.1089	3.5978	1.1952	3.5978
B6	1.4306	1.4306	2.8603	2.5128	2.5128		2.1089	2.1089	3.8699	3.5978	3.5978	1.1952
H7	1.0097	3.3539	3.3539	3.8699	2.1089	2.1089		4.1901	4.1901	5.0651	2.5402	2.5402
H8	3.3539	1.0097	3.3539	2.1089	3.8699	2.1089	4.1901		4.1901	2.5402	5.0651	2.5402
H9	3.3539	3.3539	1.0097	2.1089	2.1089	3.8699	4.1901	4.1901		2.5402	2.5402	5.0651
H10	4.0554	2.2931	2.2931	1.1952	3.5978	3.5978	5.0651	2.5402	2.5402		4.5829	4.5829
H11	2.2931	4.0554	2.2931	3.5978	1.1952	3.5978	2.5402	5.0651	2.5402	4.5829		4.5829
H12	2.2931	2.2931	4.0554	3.5978	3.5978	1.1952	2.5402	2.5402	5.0651	4.5829	4.5829

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B5	N3	117.133	N1	B5	H11	121.433
N1	B6	N2	117.133	N1	B6	H12	121.433
N2	B4	N3	117.133	N2	B4	H10	121.433
N2	B6	H12	121.433	N3	B4	H10	121.433
N3	B5	H11	121.433	B4	N2	B6	122.867
B4	N2	H8	118.567	B4	N3	B5	122.867
B4	N3	H9	118.567	B5	N1	B6	122.867
B5	N1	H7	118.567	B5	N3	H9	118.567
B6	N1	H7	118.567	B6	N2	H8	118.567

All results from a given calculation for B₃N₃H₆ (borazine)

using model chemistry: B3LYP/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	-0.471
2	N	-0.471
3	N	-0.471
4	B	0.307
5	B	0.307
6	B	0.307
7	H	0.250
8	H	0.250
9	H	0.250
10	H	-0.087
11	H	-0.087
12	H	-0.087

<r²>	133.359
(<r²>)^1/2	11.548

All results from a given calculation for B3N3H6 (borazine)

using model chemistry: B3LYP/6-31G**

States and conformations

All results from a given calculation for B₃N₃H₆ (borazine)