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	hartrees
Energy at 0K	-242.336293
Energy at 298.15K	-242.345505
Nuclear repulsion energy	196.865000

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3568	3519	0.00
2	A₁'	2593	2557	0.00
3	A₁'	920	907	0.00
4	A₁'	840	828	0.00
5	A₂'	1271	1253	0.00
6	A₂'	1227	1210	0.00
7	A₂'	1013	999	0.00
8	A₂"	894	881	198.84
9	A₂"	716	706	53.32
10	A₂"	394	389	21.29
11	E'	3570	3521	40.11
11	E'	3570	3521	40.09
12	E'	2584	2548	258.09
12	E'	2584	2548	258.09
13	E'	1454	1434	419.18
13	E'	1454	1434	419.22
14	E'	1357	1338	2.66
14	E'	1357	1338	2.65
15	E'	1051	1037	1.36
15	E'	1051	1037	1.36
16	E'	922	909	0.00
16	E'	922	909	0.00
17	E'	506	499	0.80
17	E'	506	499	0.80
18	E"	887	875	0.00
18	E"	887	875	0.00
19	E"	693	684	0.00
19	E"	693	684	0.00
20	E"	280	277	0.00
20	E"	280	277	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.414
N2	1.224	-0.707
N3	-1.224	-0.707
B4	0.000	-1.458
B5	-1.263	0.729
B6	1.263	0.729
H7	0.000	2.430
H8	2.105	-1.215
H9	-2.105	-1.215
H10	0.000	-2.663
H11	-2.306	1.332
H12	2.306	1.332

	N1	N2	N3	B4	B5	B6	H7	H8	H9	H10	H11	H12
N1		2.4486	2.4486	2.8718	1.4364	1.4364	1.0168	3.3677	3.3677	4.0768	2.3078	2.3078
N2	2.4486		2.4486	1.4364	2.8718	1.4364	3.3677	1.0168	3.3677	2.3078	4.0768	2.3078
N3	2.4486	2.4486		1.4364	1.4364	2.8718	3.3677	3.3677	1.0168	2.3078	2.3078	4.0768
B4	2.8718	1.4364	1.4364		2.5255	2.5255	3.8886	2.1188	2.1188	1.2050	3.6195	3.6195
B5	1.4364	2.8718	1.4364	2.5255		2.5255	2.1188	3.8886	2.1188	3.6195	1.2050	3.6195
B6	1.4364	1.4364	2.8718	2.5255	2.5255		2.1188	2.1188	3.8886	3.6195	3.6195	1.2050
H7	1.0168	3.3677	3.3677	3.8886	2.1188	2.1188		4.2097	4.2097	5.0936	2.5547	2.5547
H8	3.3677	1.0168	3.3677	2.1188	3.8886	2.1188	4.2097		4.2097	2.5547	5.0936	2.5547
H9	3.3677	3.3677	1.0168	2.1188	2.1188	3.8886	4.2097	4.2097		2.5547	2.5547	5.0936
H10	4.0768	2.3078	2.3078	1.2050	3.6195	3.6195	5.0936	2.5547	2.5547		4.6126	4.6126
H11	2.3078	4.0768	2.3078	3.6195	1.2050	3.6195	2.5547	5.0936	2.5547	4.6126		4.6126
H12	2.3078	2.3078	4.0768	3.6195	3.6195	1.2050	2.5547	2.5547	5.0936	4.6126	4.6126

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B5	N3	116.933	N1	B5	H11	121.533
N1	B6	N2	116.933	N1	B6	H12	121.533
N2	B4	N3	116.933	N2	B4	H10	121.533
N2	B6	H12	121.533	N3	B4	H10	121.533
N3	B5	H11	121.533	B4	N2	B6	123.067
B4	N2	H8	118.467	B4	N3	B5	123.067
B4	N3	H9	118.467	B5	N1	B6	123.067
B5	N1	H7	118.467	B5	N3	H9	118.467
B6	N1	H7	118.467	B6	N2	H8	118.467

All results from a given calculation for B₃N₃H₆ (borazine)

using model chemistry: PBEPBE/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	-0.438
2	N	-0.438
3	N	-0.438
4	B	0.244
5	B	0.244
6	B	0.244
7	H	0.257
8	H	0.257
9	H	0.257
10	H	-0.064
11	H	-0.064
12	H	-0.064

<r²>	134.328
(<r²>)^1/2	11.590

All results from a given calculation for B3N3H6 (borazine)

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

States and conformations

All results from a given calculation for B₃N₃H₆ (borazine)