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	hartrees
Energy at 0K	-241.275731
Energy at 298.15K	-241.284975
Nuclear repulsion energy	198.471887

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3545	3478	0.00
2	A₁'	2603	2554	0.00
3	A₁'	939	922	0.00
4	A₁'	850	834	0.00
5	A₂'	1308	1284	0.00
6	A₂'	1235	1212	0.00
7	A₂'	999	980	0.00
8	A₂"	901	884	214.39
9	A₂"	720	706	54.70
10	A₂"	405	398	23.27
11	E'	3546	3480	55.09
11	E'	3546	3480	55.09
12	E'	2594	2546	231.61
12	E'	2594	2546	231.64
13	E'	1490	1462	405.04
13	E'	1490	1462	405.04
14	E'	1365	1339	0.72
14	E'	1365	1339	0.72
15	E'	1046	1026	5.04
15	E'	1046	1026	5.04
16	E'	929	912	0.00
16	E'	929	912	0.00
17	E'	508	498	0.91
17	E'	508	498	0.91
18	E"	885	869	0.00
18	E"	885	869	0.00
19	E"	708	695	0.00
19	E"	708	695	0.00
20	E"	286	280	0.00
20	E"	286	280	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.401
N2	1.213	-0.700
N3	-1.213	-0.700
B4	0.000	-1.443
B5	-1.249	0.721
B6	1.249	0.721
H7	0.000	2.420
H8	2.096	-1.210
H9	-2.096	-1.210
H10	0.000	-2.649
H11	-2.294	1.325
H12	2.294	1.325

	N1	N2	N3	B4	B5	B6	H7	H8	H9	H10	H11	H12
N1		2.4258	2.4258	2.8431	1.4220	1.4220	1.0194	3.3477	3.3477	4.0498	2.2956	2.2956
N2	2.4258		2.4258	1.4220	2.8431	1.4220	3.3477	1.0194	3.3477	2.2956	4.0498	2.2956
N3	2.4258	2.4258		1.4220	1.4220	2.8431	3.3477	3.3477	1.0194	2.2956	2.2956	4.0498
B4	2.8431	1.4220	1.4220		2.4986	2.4986	3.8626	2.1086	2.1086	1.2067	3.5946	3.5946
B5	1.4220	2.8431	1.4220	2.4986		2.4986	2.1086	3.8626	2.1086	3.5946	1.2067	3.5946
B6	1.4220	1.4220	2.8431	2.4986	2.4986		2.1086	2.1086	3.8626	3.5946	3.5946	1.2067
H7	1.0194	3.3477	3.3477	3.8626	2.1086	2.1086		4.1915	4.1915	5.0692	2.5424	2.5424
H8	3.3477	1.0194	3.3477	2.1086	3.8626	2.1086	4.1915		4.1915	2.5424	5.0692	2.5424
H9	3.3477	3.3477	1.0194	2.1086	2.1086	3.8626	4.1915	4.1915		2.5424	2.5424	5.0692
H10	4.0498	2.2956	2.2956	1.2067	3.5946	3.5946	5.0692	2.5424	2.5424		4.5887	4.5887
H11	2.2956	4.0498	2.2956	3.5946	1.2067	3.5946	2.5424	5.0692	2.5424	4.5887		4.5887
H12	2.2956	2.2956	4.0498	3.5946	3.5946	1.2067	2.5424	2.5424	5.0692	4.5887	4.5887

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B5	N3	117.066	N1	B5	H11	121.467
N1	B6	N2	117.066	N1	B6	H12	121.467
N2	B4	N3	117.066	N2	B4	H10	121.467
N2	B6	H12	121.467	N3	B4	H10	121.467
N3	B5	H11	121.467	B4	N2	B6	122.934
B4	N2	H8	118.533	B4	N3	B5	122.934
B4	N3	H9	118.533	B5	N1	B6	122.934
B5	N1	H7	118.533	B5	N3	H9	118.533
B6	N1	H7	118.533	B6	N2	H8	118.533

All results from a given calculation for B₃N₃H₆ (borazine)

using model chemistry: LSDA/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	-0.479
2	N	-0.479
3	N	-0.479
4	B	0.156
5	B	0.156
6	B	0.156
7	H	0.339
8	H	0.339
9	H	0.339
10	H	-0.016
11	H	-0.016
12	H	-0.016

<r²>	132.378
(<r²>)^1/2	11.506

All results from a given calculation for B3N3H6 (borazine)

using model chemistry: LSDA/6-31G*

States and conformations

All results from a given calculation for B₃N₃H₆ (borazine)