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	hartrees
Energy at 0K	-241.302447
Energy at 298.15K	-241.311764
Nuclear repulsion energy	199.118617

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3572	3514	0.00
2	A₁'	2589	2547	0.00
3	A₁'	946	931	0.00
4	A₁'	853	840	0.00
5	A₂'	1303	1282	0.00
6	A₂'	1243	1223	0.00
7	A₂'	999	983	0.00
8	A₂"	907	892	184.69
9	A₂"	717	706	40.43
10	A₂"	416	409	14.71
11	E'	3573	3516	65.53
11	E'	3573	3516	65.53
12	E'	2581	2540	196.31
12	E'	2581	2540	196.34
13	E'	1483	1459	384.30
13	E'	1483	1459	384.27
14	E'	1362	1340	3.30
14	E'	1362	1340	3.29
15	E'	1054	1037	4.50
15	E'	1054	1037	4.50
16	E'	931	916	0.05
16	E'	931	916	0.05
17	E'	513	504	0.99
17	E'	513	504	0.99
18	E"	886	872	0.00
18	E"	886	872	0.00
19	E"	722	710	0.00
19	E"	722	710	0.00
20	E"	284	280	0.00
20	E"	284	280	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.394
N2	1.207	-0.697
N3	-1.207	-0.697
B4	0.000	-1.440
B5	-1.247	0.720
B6	1.247	0.720
H7	0.000	2.410
H8	2.087	-1.205
H9	-2.087	-1.205
H10	0.000	-2.644
H11	-2.289	1.322
H12	2.289	1.322

	N1	N2	N3	B4	B5	B6	H7	H8	H9	H10	H11	H12
N1		2.4148	2.4148	2.8340	1.4176	1.4176	1.0161	3.3336	3.3336	4.0377	2.2906	2.2906
N2	2.4148		2.4148	1.4176	2.8340	1.4176	3.3336	1.0161	3.3336	2.2906	4.0377	2.2906
N3	2.4148	2.4148		1.4176	1.4176	2.8340	3.3336	3.3336	1.0161	2.2906	2.2906	4.0377
B4	2.8340	1.4176	1.4176		2.4940	2.4940	3.8501	2.1005	2.1005	1.2037	3.5872	3.5872
B5	1.4176	2.8340	1.4176	2.4940		2.4940	2.1005	3.8501	2.1005	3.5872	1.2037	3.5872
B6	1.4176	1.4176	2.8340	2.4940	2.4940		2.1005	2.1005	3.8501	3.5872	3.5872	1.2037
H7	1.0161	3.3336	3.3336	3.8501	2.1005	2.1005		4.1746	4.1746	5.0538	2.5350	2.5350
H8	3.3336	1.0161	3.3336	2.1005	3.8501	2.1005	4.1746		4.1746	2.5350	5.0538	2.5350
H9	3.3336	3.3336	1.0161	2.1005	2.1005	3.8501	4.1746	4.1746		2.5350	2.5350	5.0538
H10	4.0377	2.2906	2.2906	1.2037	3.5872	3.5872	5.0538	2.5350	2.5350		4.5788	4.5788
H11	2.2906	4.0377	2.2906	3.5872	1.2037	3.5872	2.5350	5.0538	2.5350	4.5788		4.5788
H12	2.2906	2.2906	4.0377	3.5872	3.5872	1.2037	2.5350	2.5350	5.0538	4.5788	4.5788

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B5	N3	116.799	N1	B5	H11	121.601
N1	B6	N2	116.799	N1	B6	H12	121.601
N2	B4	N3	116.799	N2	B4	H10	121.601
N2	B6	H12	121.601	N3	B4	H10	121.601
N3	B5	H11	121.601	B4	N2	B6	123.201
B4	N2	H8	118.399	B4	N3	B5	123.201
B4	N3	H9	118.399	B5	N1	B6	123.201
B5	N1	H7	118.399	B5	N3	H9	118.399
B6	N1	H7	118.399	B6	N2	H8	118.399

All results from a given calculation for B₃N₃H₆ (borazine)

using model chemistry: LSDA/6-31G(2df,p)

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	-0.052
2	N	-0.052
3	N	-0.052
4	B	-0.188
5	B	-0.188
6	B	-0.188
7	H	0.270
8	H	0.270
9	H	0.270
10	H	-0.030
11	H	-0.030
12	H	-0.030

<r²>	131.775
(<r²>)^1/2	11.479

All results from a given calculation for B3N3H6 (borazine)

using model chemistry: LSDA/6-31G(2df,p)

States and conformations

All results from a given calculation for B₃N₃H₆ (borazine)