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	hartrees
Energy at 0K	-242.581265
Energy at 298.15K	-242.590511
Nuclear repulsion energy	196.226463

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3529	3510	0.00
2	A₁'	2590	2576	0.00
3	A₁'	914	909	0.00
4	A₁'	837	832	0.00
5	A₂'	1275	1269	0.00
6	A₂'	1202	1196	0.00
7	A₂'	1020	1015	0.00
8	A₂"	900	895	179.99
9	A₂"	712	708	64.82
10	A₂"	402	400	23.69
11	E'	3531	3512	35.43
11	E'	3531	3512	35.42
12	E'	2581	2567	298.70
12	E'	2581	2567	298.71
13	E'	1434	1426	471.93
13	E'	1434	1426	471.95
14	E'	1351	1344	32.17
14	E'	1351	1344	32.16
15	E'	1051	1046	0.18
15	E'	1051	1046	0.18
16	E'	912	907	0.06
16	E'	912	907	0.06
17	E'	511	508	0.53
17	E'	511	508	0.53
18	E"	893	889	0.00
18	E"	893	889	0.00
19	E"	697	693	0.00
19	E"	697	693	0.00
20	E"	286	284	0.00
20	E"	286	284	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.419
N2	1.228	-0.709
N3	-1.228	-0.709
B4	0.000	-1.465
B5	-1.269	0.732
B6	1.269	0.732
H7	0.000	2.437
H8	2.111	-1.219
H9	-2.111	-1.219
H10	0.000	-2.665
H11	-2.308	1.333
H12	2.308	1.333

	N1	N2	N3	B4	B5	B6	H7	H8	H9	H10	H11	H12
N1		2.4570	2.4570	2.8834	1.4423	1.4423	1.0185	3.3777	3.3777	4.0838	2.3097	2.3097
N2	2.4570		2.4570	1.4423	2.8834	1.4423	3.3777	1.0185	3.3777	2.3097	4.0838	2.3097
N3	2.4570	2.4570		1.4423	1.4423	2.8834	3.3777	3.3777	1.0185	2.3097	2.3097	4.0838
B4	2.8834	1.4423	1.4423		2.5372	2.5372	3.9019	2.1249	2.1249	1.2004	3.6267	3.6267
B5	1.4423	2.8834	1.4423	2.5372		2.5372	2.1249	3.9019	2.1249	3.6267	1.2004	3.6267
B6	1.4423	1.4423	2.8834	2.5372	2.5372		2.1249	2.1249	3.9019	3.6267	3.6267	1.2004
H7	1.0185	3.3777	3.3777	3.9019	2.1249	2.1249		4.2211	4.2211	5.1023	2.5588	2.5588
H8	3.3777	1.0185	3.3777	2.1249	3.9019	2.1249	4.2211		4.2211	2.5588	5.1023	2.5588
H9	3.3777	3.3777	1.0185	2.1249	2.1249	3.9019	4.2211	4.2211		2.5588	2.5588	5.1023
H10	4.0838	2.3097	2.3097	1.2004	3.6267	3.6267	5.1023	2.5588	2.5588		4.6163	4.6163
H11	2.3097	4.0838	2.3097	3.6267	1.2004	3.6267	2.5588	5.1023	2.5588	4.6163		4.6163
H12	2.3097	2.3097	4.0838	3.6267	3.6267	1.2004	2.5588	2.5588	5.1023	4.6163	4.6163

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B5	N3	116.814	N1	B5	H11	121.593
N1	B6	N2	116.814	N1	B6	H12	121.593
N2	B4	N3	116.814	N2	B4	H10	121.593
N2	B6	H12	121.593	N3	B4	H10	121.593
N3	B5	H11	121.593	B4	N2	B6	123.186
B4	N2	H8	118.407	B4	N3	B5	123.186
B4	N3	H9	118.407	B5	N1	B6	123.186
B5	N1	H7	118.407	B5	N3	H9	118.407
B6	N1	H7	118.407	B6	N2	H8	118.407

All results from a given calculation for B₃N₃H₆ (borazine)

using model chemistry: BLYP/6-31+G**

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	-0.784
2	N	-0.784
3	N	-0.784
4	B	0.553
5	B	0.553
6	B	0.553
7	H	0.294
8	H	0.294
9	H	0.294
10	H	-0.063
11	H	-0.063
12	H	-0.063

<r²>	136.119
(<r²>)^1/2	11.667

All results from a given calculation for B3N3H6 (borazine)

using model chemistry: BLYP/6-31+G**

States and conformations

All results from a given calculation for B₃N₃H₆ (borazine)