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	hartrees
Energy at 0K	-242.671408
Energy at 298.15K	-242.680802
HF Energy	-242.671408
Nuclear repulsion energy	198.004957

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3676	3511	0.00
2	A₁'	2617	2499	0.00
3	A₁'	953	910	0.00
4	A₁'	869	830	0.00
5	A₂'	1328	1269	0.00
6	A₂'	1260	1203	0.00
7	A₂'	1052	1005	0.00
8	A₂"	934	892	230.44
9	A₂"	726	694	62.95
10	A₂"	398	380	27.15
11	E'	3677	3512	54.44
11	E'	3677	3512	54.40
12	E'	2606	2489	303.10
12	E'	2606	2489	302.66
13	E'	1505	1438	567.06
13	E'	1505	1438	566.96
14	E'	1408	1345	16.37
14	E'	1408	1345	16.37
15	E'	1087	1038	0.00
15	E'	1087	1038	0.00
16	E'	948	905	0.00
16	E'	948	905	0.00
17	E'	527	503	0.28
17	E'	527	503	0.28
18	E"	919	877	0.00
18	E"	919	877	0.00
19	E"	718	686	0.00
19	E"	718	686	0.00
20	E"	281	269	0.00
20	E"	281	269	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.402
N2	1.214	-0.701
N3	-1.214	-0.701
B4	0.000	-1.429
B5	-1.238	0.715
B6	1.238	0.715
H7	0.000	2.402
H8	2.081	-1.201
H9	-2.081	-1.201
H10	0.000	-2.554
H11	-2.212	1.277
H12	2.212	1.277

	N1	N2	N3	B4	B5	B6	H7	H8	H9	H10	H11	H12
N1		2.4279	2.4279	2.8313	1.4158	1.4158	1.0007	3.3324	3.3324	3.9555	2.2151	2.2151
N2	2.4279		2.4279	1.4158	2.8313	1.4158	3.3324	1.0007	3.3324	2.2151	3.9555	2.2151
N3	2.4279	2.4279		1.4158	1.4158	2.8313	3.3324	3.3324	1.0007	2.2151	2.2151	3.9555
B4	2.8313	1.4158	1.4158		2.4760	2.4760	3.8320	2.0931	2.0931	1.1242	3.4950	3.4950
B5	1.4158	2.8313	1.4158	2.4760		2.4760	2.0931	3.8320	2.0931	3.4950	1.1242	3.4950
B6	1.4158	1.4158	2.8313	2.4760	2.4760		2.0931	2.0931	3.8320	3.4950	3.4950	1.1242
H7	1.0007	3.3324	3.3324	3.8320	2.0931	2.0931		4.1612	4.1612	4.9562	2.4815	2.4815
H8	3.3324	1.0007	3.3324	2.0931	3.8320	2.0931	4.1612		4.1612	2.4815	4.9562	2.4815
H9	3.3324	3.3324	1.0007	2.0931	2.0931	3.8320	4.1612	4.1612		2.4815	2.4815	4.9562
H10	3.9555	2.2151	2.2151	1.1242	3.4950	3.4950	4.9562	2.4815	2.4815		4.4231	4.4231
H11	2.2151	3.9555	2.2151	3.4950	1.1242	3.4950	2.4815	4.9562	2.4815	4.4231		4.4231
H12	2.2151	2.2151	3.9555	3.4950	3.4950	1.1242	2.4815	2.4815	4.9562	4.4231	4.4231

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B5	N3	118.056	N1	B5	H11	120.972
N1	B6	N2	118.056	N1	B6	H12	120.972
N2	B4	N3	118.056	N2	B4	H10	120.972
N2	B6	H12	120.972	N3	B4	H10	120.972
N3	B5	H11	120.972	B4	N2	B6	121.944
B4	N2	H8	119.028	B4	N3	B5	121.944
B4	N3	H9	119.028	B5	N1	B6	121.944
B5	N1	H7	119.028	B5	N3	H9	119.028
B6	N1	H7	119.028	B6	N2	H8	119.028

All results from a given calculation for B₃N₃H₆ (borazine)

using model chemistry: wB97X-D/TZVP

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	-0.490
2	N	-0.490
3	N	-0.490
4	B	0.321
5	B	0.321
6	B	0.321
7	H	0.240
8	H	0.240
9	H	0.240
10	H	-0.071
11	H	-0.071
12	H	-0.071

<r²>	133.535
(<r²>)^1/2	11.556

All results from a given calculation for B3N3H6 (borazine)

using model chemistry: wB97X-D/TZVP

States and conformations

All results from a given calculation for B₃N₃H₆ (borazine)