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	hartrees
Energy at 0K	-241.189052
Energy at 298.15K	-241.198451
HF Energy	-241.189052
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3465	3406	0.00
2	A₁'	2627	2583	0.00
3	A₁'	922	907	0.00
4	A₁'	831	817	0.00
5	A₂'	1315	1293	0.00
6	A₂'	1202	1182	0.00
7	A₂'	1008	991	0.00
8	A₂"	948	932	286.82
9	A₂"	721	709	62.10
10	A₂"	451	444	22.79
11	E'	3466	3407	30.11
11	E'	3466	3407	30.12
12	E'	2616	2571	284.84
12	E'	2616	2571	284.68
13	E'	1445	1421	384.09
13	E'	1445	1421	384.06
14	E'	1375	1352	57.20
14	E'	1375	1352	57.16
15	E'	1061	1043	0.35
15	E'	1061	1043	0.35
16	E'	911	895	0.73
16	E'	911	895	0.73
17	E'	512	503	0.59
17	E'	512	503	0.59
18	E"	916	900	0.00
18	E"	916	900	0.00
19	E"	747	735	0.00
19	E"	747	735	0.00
20	E"	295	290	0.00
20	E"	295	290	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.430
N2	1.238	-0.715
N3	-1.238	-0.715
B4	0.000	-1.477
B5	-1.279	0.739
B6	1.279	0.739
H7	0.000	2.452
H8	2.124	-1.226
H9	-2.124	-1.226
H10	0.000	-2.678
H11	-2.319	1.339
H12	2.319	1.339

	N1	N2	N3	B4	B5	B6	H7	H8	H9	H10	H11	H12
N1		2.4763	2.4763	2.9067	1.4539	1.4539	1.0224	3.4004	3.4004	4.1078	2.3210	2.3210
N2	2.4763		2.4763	1.4539	2.9067	1.4539	3.4004	1.0224	3.4004	2.3210	4.1078	2.3210
N3	2.4763	2.4763		1.4539	1.4539	2.9067	3.4004	3.4004	1.0224	2.3210	2.3210	4.1078
B4	2.9067	1.4539	1.4539		2.5582	2.5582	3.9291	2.1383	2.1383	1.2011	3.6482	3.6482
B5	1.4539	2.9067	1.4539	2.5582		2.5582	2.1383	3.9291	2.1383	3.6482	1.2011	3.6482
B6	1.4539	1.4539	2.9067	2.5582	2.5582		2.1383	2.1383	3.9291	3.6482	3.6482	1.2011
H7	1.0224	3.4004	3.4004	3.9291	2.1383	2.1383		4.2471	4.2471	5.1301	2.5725	2.5725
H8	3.4004	1.0224	3.4004	2.1383	3.9291	2.1383	4.2471		4.2471	2.5725	5.1301	2.5725
H9	3.4004	3.4004	1.0224	2.1383	2.1383	3.9291	4.2471	4.2471		2.5725	2.5725	5.1301
H10	4.1078	2.3210	2.3210	1.2011	3.6482	3.6482	5.1301	2.5725	2.5725		4.6385	4.6385
H11	2.3210	4.1078	2.3210	3.6482	1.2011	3.6482	2.5725	5.1301	2.5725	4.6385		4.6385
H12	2.3210	2.3210	4.1078	3.6482	3.6482	1.2011	2.5725	2.5725	5.1301	4.6385	4.6385

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B5	N3	118.132	N1	B5	H11	120.934
N1	B6	N2	118.132	N1	B6	H12	120.934
N2	B4	N3	118.132	N2	B4	H10	120.934
N2	B6	H12	120.934	N3	B4	H10	120.934
N3	B5	H11	120.934	B4	N2	B6	121.868
B4	N2	H8	119.066	B4	N3	B5	121.868
B4	N3	H9	119.066	B5	N1	B6	121.868
B5	N1	H7	119.066	B5	N3	H9	119.066
B6	N1	H7	119.066	B6	N2	H8	119.066

All results from a given calculation for B₃N₃H₆ (borazine)

using model chemistry: B97D3/3-21G

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	-0.775
2	N	-0.775
3	N	-0.775
4	B	0.491
5	B	0.491
6	B	0.491
7	H	0.308
8	H	0.308
9	H	0.308
10	H	-0.024
11	H	-0.024
12	H	-0.024

<r²>	136.948
(<r²>)^1/2	11.702

All results from a given calculation for B3N3H6 (borazine)

using model chemistry: B97D3/3-21G

States and conformations

All results from a given calculation for B₃N₃H₆ (borazine)