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	hartrees
Energy at 0K	-242.617334
Energy at 298.15K	-242.626692
Nuclear repulsion energy	198.085635

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3650	3514	0.00
2	A₁'	2607	2510	0.00
3	A₁'	947	912	0.00
4	A₁'	864	832	0.00
5	A₂'	1328	1279	0.00
6	A₂'	1245	1199	0.00
7	A₂'	1033	995	0.00
8	A₂"	926	891	233.82
9	A₂"	733	705	57.69
10	A₂"	399	385	30.11
11	E'	3652	3515	35.69
11	E'	3652	3515	35.69
12	E'	2597	2500	301.48
12	E'	2597	2500	301.48
13	E'	1498	1442	488.32
13	E'	1498	1442	488.31
14	E'	1402	1350	27.99
14	E'	1402	1350	27.99
15	E'	1076	1036	0.05
15	E'	1076	1036	0.05
16	E'	937	902	0.11
16	E'	937	902	0.11
17	E'	523	503	0.45
17	E'	523	503	0.45
18	E"	912	878	0.00
18	E"	912	878	0.00
19	E"	715	688	0.00
19	E"	715	688	0.00
20	E"	287	276	0.00
20	E"	287	276	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.407
N2	1.219	-0.704
N3	-1.219	-0.704
B4	0.000	-1.447
B5	-1.253	0.724
B6	1.253	0.724
H7	0.000	2.415
H8	2.091	-1.207
H9	-2.091	-1.207
H10	0.000	-2.646
H11	-2.291	1.323
H12	2.291	1.323

	N1	N2	N3	B4	B5	B6	H7	H8	H9	H10	H11	H12
N1		2.4373	2.4373	2.8544	1.4276	1.4276	1.0077	3.3481	3.3481	4.0530	2.2929	2.2929
N2	2.4373		2.4373	1.4276	2.8544	1.4276	3.3481	1.0077	3.3481	2.2929	4.0530	2.2929
N3	2.4373	2.4373		1.4276	1.4276	2.8544	3.3481	3.3481	1.0077	2.2929	2.2929	4.0530
B4	2.8544	1.4276	1.4276		2.5066	2.5066	3.8620	2.1050	2.1050	1.1986	3.5949	3.5949
B5	1.4276	2.8544	1.4276	2.5066		2.5066	2.1050	3.8620	2.1050	3.5949	1.1986	3.5949
B6	1.4276	1.4276	2.8544	2.5066	2.5066		2.1050	2.1050	3.8620	3.5949	3.5949	1.1986
H7	1.0077	3.3481	3.3481	3.8620	2.1050	2.1050		4.1826	4.1826	5.0606	2.5382	2.5382
H8	3.3481	1.0077	3.3481	2.1050	3.8620	2.1050	4.1826		4.1826	2.5382	5.0606	2.5382
H9	3.3481	3.3481	1.0077	2.1050	2.1050	3.8620	4.1826	4.1826		2.5382	2.5382	5.0606
H10	4.0530	2.2929	2.2929	1.1986	3.5949	3.5949	5.0606	2.5382	2.5382		4.5827	4.5827
H11	2.2929	4.0530	2.2929	3.5949	1.1986	3.5949	2.5382	5.0606	2.5382	4.5827		4.5827
H12	2.2929	2.2929	4.0530	3.5949	3.5949	1.1986	2.5382	2.5382	5.0606	4.5827	4.5827

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B5	N3	117.217	N1	B5	H11	121.392
N1	B6	N2	117.217	N1	B6	H12	121.392
N2	B4	N3	117.217	N2	B4	H10	121.392
N2	B6	H12	121.392	N3	B4	H10	121.392
N3	B5	H11	121.392	B4	N2	B6	122.783
B4	N2	H8	118.608	B4	N3	B5	122.783
B4	N3	H9	118.608	B5	N1	B6	122.783
B5	N1	H7	118.608	B5	N3	H9	118.608
B6	N1	H7	118.608	B6	N2	H8	118.608

All results from a given calculation for B₃N₃H₆ (borazine)

using model chemistry: B3PW91/6-311G*

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	-0.587
2	N	-0.587
3	N	-0.587
4	B	0.245
5	B	0.245
6	B	0.245
7	H	0.340
8	H	0.340
9	H	0.340
10	H	0.002
11	H	0.002
12	H	0.002

<r²>	133.277
(<r²>)^1/2	11.545

All results from a given calculation for B3N3H6 (borazine)

using model chemistry: B3PW91/6-311G*

States and conformations

All results from a given calculation for B₃N₃H₆ (borazine)