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	hartrees
Energy at 0K	-241.215127
Energy at 298.15K	-241.224759
Nuclear repulsion energy	198.609632

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3863	3510	0.00
2	A₁'	2685	2439	0.00
3	A₁'	1001	910	0.00
4	A₁'	910	826	0.00
5	A₂'	1430	1299	0.00
6	A₂'	1282	1165	0.00
7	A₂'	1120	1018	0.00
8	A₂"	1013	920	297.94
9	A₂"	760	691	79.80
10	A₂"	407	370	37.67
11	E'	3865	3511	56.49
11	E'	3865	3511	56.49
12	E'	2671	2427	392.49
12	E'	2671	2427	392.49
13	E'	1584	1439	623.41
13	E'	1584	1439	623.41
14	E'	1488	1352	120.24
14	E'	1488	1352	120.24
15	E'	1140	1036	4.79
15	E'	1140	1036	4.79
16	E'	986	896	0.42
16	E'	986	896	0.42
17	E'	557	506	0.13
17	E'	557	506	0.13
18	E"	1000	909	0.00
18	E"	1000	909	0.00
19	E"	734	667	0.00
19	E"	734	667	0.00
20	E"	297	269	0.00
20	E"	297	269	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.408
N2	1.219	-0.704
N3	-1.219	-0.704
B4	0.000	-1.442
B5	-1.249	0.721
B6	1.249	0.721
H7	0.000	2.402
H8	2.080	-1.201
H9	-2.080	-1.201
H10	0.000	-2.635
H11	-2.282	1.318
H12	2.282	1.318

	N1	N2	N3	B4	B5	B6	H7	H8	H9	H10	H11	H12
N1		2.4382	2.4382	2.8501	1.4254	1.4254	0.9939	3.3361	3.3361	4.0427	2.2838	2.2838
N2	2.4382		2.4382	1.4254	2.8501	1.4254	3.3361	0.9939	3.3361	2.2838	4.0427	2.2838
N3	2.4382	2.4382		1.4254	1.4254	2.8501	3.3361	3.3361	0.9939	2.2838	2.2838	4.0427
B4	2.8501	1.4254	1.4254		2.4984	2.4984	3.8440	2.0938	2.0938	1.1926	3.5812	3.5812
B5	1.4254	2.8501	1.4254	2.4984		2.4984	2.0938	3.8440	2.0938	3.5812	1.1926	3.5812
B6	1.4254	1.4254	2.8501	2.4984	2.4984		2.0938	2.0938	3.8440	3.5812	3.5812	1.1926
H7	0.9939	3.3361	3.3361	3.8440	2.0938	2.0938		4.1596	4.1596	5.0366	2.5264	2.5264
H8	3.3361	0.9939	3.3361	2.0938	3.8440	2.0938	4.1596		4.1596	2.5264	5.0366	2.5264
H9	3.3361	3.3361	0.9939	2.0938	2.0938	3.8440	4.1596	4.1596		2.5264	2.5264	5.0366
H10	4.0427	2.2838	2.2838	1.1926	3.5812	3.5812	5.0366	2.5264	2.5264		4.5640	4.5640
H11	2.2838	4.0427	2.2838	3.5812	1.1926	3.5812	2.5264	5.0366	2.5264	4.5640		4.5640
H12	2.2838	2.2838	4.0427	3.5812	3.5812	1.1926	2.5264	2.5264	5.0366	4.5640	4.5640

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B5	N3	117.581	N1	B5	H11	121.210
N1	B6	N2	117.581	N1	B6	H12	121.210
N2	B4	N3	117.581	N2	B4	H10	121.210
N2	B6	H12	121.210	N3	B4	H10	121.210
N3	B5	H11	121.210	B4	N2	B6	122.419
B4	N2	H8	118.790	B4	N3	B5	122.419
B4	N3	H9	118.790	B5	N1	B6	122.419
B5	N1	H7	118.790	B5	N3	H9	118.790
B6	N1	H7	118.790	B6	N2	H8	118.790

All results from a given calculation for B₃N₃H₆ (borazine)

using model chemistry: HF/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	-0.446
2	N	-0.446
3	N	-0.446
4	B	0.304
5	B	0.304
6	B	0.304
7	H	0.211
8	H	0.211
9	H	0.211
10	H	-0.069
11	H	-0.069
12	H	-0.069

<r²>	132.986
(<r²>)^1/2	11.532

All results from a given calculation for B3N3H6 (borazine)

using model chemistry: HF/6-311G**

States and conformations

All results from a given calculation for B₃N₃H₆ (borazine)