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	hartrees
Energy at 0K	-241.069226
Energy at 298.15K	-241.079100
Nuclear repulsion energy	197.921442

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3864	3489	0.00
2	A₁'	2740	2474	0.00
3	A₁'	1028	928	0.00
4	A₁'	905	817	0.00
5	A₂'	1474	1331	0.00
6	A₂'	1309	1182	0.00
7	A₂'	1140	1030	0.00
8	A₂"	1106	999	625.36
9	A₂"	785	709	76.63
10	A₂"	489	442	34.10
11	E'	3866	3490	42.30
11	E'	3866	3490	42.30
12	E'	2724	2460	398.48
12	E'	2724	2460	398.48
13	E'	1597	1442	538.11
13	E'	1597	1442	538.11
14	E'	1503	1357	228.06
14	E'	1503	1357	228.06
15	E'	1158	1046	2.79
15	E'	1158	1046	2.79
16	E'	987	891	0.48
16	E'	987	891	0.48
17	E'	569	514	0.00
17	E'	569	514	0.00
18	E"	1041	940	0.00
18	E"	1041	940	0.00
19	E"	840	758	0.00
19	E"	840	758	0.00
20	E"	320	289	0.00
20	E"	320	289	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.413
N2	1.224	-0.707
N3	-1.224	-0.707
B4	0.000	-1.449
B5	-1.255	0.725
B6	1.255	0.725
H7	0.000	2.408
H8	2.085	-1.204
H9	-2.085	-1.204
H10	0.000	-2.637
H11	-2.284	1.319
H12	2.284	1.319

	N1	N2	N3	B4	B5	B6	H7	H8	H9	H10	H11	H12
N1		2.4482	2.4482	2.8627	1.4317	1.4317	0.9944	3.3465	3.3465	4.0506	2.2858	2.2858
N2	2.4482		2.4482	1.4317	2.8627	1.4317	3.3465	0.9944	3.3465	2.2858	4.0506	2.2858
N3	2.4482	2.4482		1.4317	1.4317	2.8627	3.3465	3.3465	0.9944	2.2858	2.2858	4.0506
B4	2.8627	1.4317	1.4317		2.5101	2.5101	3.8571	2.0997	2.0997	1.1880	3.5884	3.5884
B5	1.4317	2.8627	1.4317	2.5101		2.5101	2.0997	3.8571	2.0997	3.5884	1.1880	3.5884
B6	1.4317	1.4317	2.8627	2.5101	2.5101		2.0997	2.0997	3.8571	3.5884	3.5884	1.1880
H7	0.9944	3.3465	3.3465	3.8571	2.0997	2.0997		4.1706	4.1706	5.0451	2.5303	2.5303
H8	3.3465	0.9944	3.3465	2.0997	3.8571	2.0997	4.1706		4.1706	2.5303	5.0451	2.5303
H9	3.3465	3.3465	0.9944	2.0997	2.0997	3.8571	4.1706	4.1706		2.5303	2.5303	5.0451
H10	4.0506	2.2858	2.2858	1.1880	3.5884	3.5884	5.0451	2.5303	2.5303		4.5677	4.5677
H11	2.2858	4.0506	2.2858	3.5884	1.1880	3.5884	2.5303	5.0451	2.5303	4.5677		4.5677
H12	2.2858	2.2858	4.0506	3.5884	3.5884	1.1880	2.5303	2.5303	5.0451	4.5677	4.5677

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B5	N3	117.524	N1	B5	H11	121.238
N1	B6	N2	117.524	N1	B6	H12	121.238
N2	B4	N3	117.524	N2	B4	H10	121.238
N2	B6	H12	121.238	N3	B4	H10	121.238
N3	B5	H11	121.238	B4	N2	B6	122.476
B4	N2	H8	118.762	B4	N3	B5	122.476
B4	N3	H9	118.762	B5	N1	B6	122.476
B5	N1	H7	118.762	B5	N3	H9	118.762
B6	N1	H7	118.762	B6	N2	H8	118.762

All results from a given calculation for B₃N₃H₆ (borazine)

using model chemistry: HF/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	-1.048
2	N	-1.048
3	N	-1.048
4	B	0.761
5	B	0.761
6	B	0.761
7	H	0.354
8	H	0.354
9	H	0.354
10	H	-0.068
11	H	-0.068
12	H	-0.068

<r²>	133.690
(<r²>)^1/2	11.562

All results from a given calculation for B3N3H6 (borazine)

using model chemistry: HF/6-31G

States and conformations

All results from a given calculation for B₃N₃H₆ (borazine)