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	hartrees
Energy at 0K	-241.955359
Energy at 298.15K	-241.964754
Nuclear repulsion energy	197.589863

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3715	3497	0.00
2	A₁'	2705	2547	0.00
3	A₁'	959	902	0.00
4	A₁'	873	822	0.00
5	A₂'	1347	1268	0.00
6	A₂'	1262	1188	0.00
7	A₂'	1076	1013	0.00
8	A₂"	943	888	276.88
9	A₂"	745	701	60.50
10	A₂"	394	371	30.33
11	E'	3716	3499	42.51
11	E'	3716	3499	42.51
12	E'	2695	2537	289.62
12	E'	2695	2537	289.62
13	E'	1524	1435	523.44
13	E'	1524	1435	523.44
14	E'	1431	1348	13.95
14	E'	1431	1348	13.95
15	E'	1103	1038	0.01
15	E'	1103	1038	0.01
16	E'	962	906	0.15
16	E'	962	906	0.15
17	E'	526	495	0.37
17	E'	526	495	0.37
18	E"	932	877	0.00
18	E"	932	877	0.00
19	E"	721	679	0.00
19	E"	721	679	0.00
20	E"	282	266	0.00
20	E"	282	266	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.411
N2	1.222	-0.706
N3	-1.222	-0.706
B4	0.000	-1.453
B5	-1.259	0.727
B6	1.259	0.727
H7	0.000	2.418
H8	2.094	-1.209
H9	-2.094	-1.209
H10	0.000	-2.644
H11	-2.290	1.322
H12	2.290	1.322

	N1	N2	N3	B4	B5	B6	H7	H8	H9	H10	H11	H12
N1		2.4445	2.4445	2.8647	1.4328	1.4328	1.0070	3.3546	3.3546	4.0555	2.2917	2.2917
N2	2.4445		2.4445	1.4328	2.8647	1.4328	3.3546	1.0070	3.3546	2.2917	4.0555	2.2917
N3	2.4445	2.4445		1.4328	1.4328	2.8647	3.3546	3.3546	1.0070	2.2917	2.2917	4.0555
B4	2.8647	1.4328	1.4328		2.5172	2.5172	3.8717	2.1086	2.1086	1.1909	3.5982	3.5982
B5	1.4328	2.8647	1.4328	2.5172		2.5172	2.1086	3.8717	2.1086	3.5982	1.1909	3.5982
B6	1.4328	1.4328	2.8647	2.5172	2.5172		2.1086	2.1086	3.8717	3.5982	3.5982	1.1909
H7	1.0070	3.3546	3.3546	3.8717	2.1086	2.1086		4.1888	4.1888	5.0626	2.5388	2.5388
H8	3.3546	1.0070	3.3546	2.1086	3.8717	2.1086	4.1888		4.1888	2.5388	5.0626	2.5388
H9	3.3546	3.3546	1.0070	2.1086	2.1086	3.8717	4.1888	4.1888		2.5388	2.5388	5.0626
H10	4.0555	2.2917	2.2917	1.1909	3.5982	3.5982	5.0626	2.5388	2.5388		4.5799	4.5799
H11	2.2917	4.0555	2.2917	3.5982	1.1909	3.5982	2.5388	5.0626	2.5388	4.5799		4.5799
H12	2.2917	2.2917	4.0555	3.5982	3.5982	1.1909	2.5388	2.5388	5.0626	4.5799	4.5799

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B5	N3	117.091	N1	B5	H11	121.455
N1	B6	N2	117.091	N1	B6	H12	121.455
N2	B4	N3	117.091	N2	B4	H10	121.455
N2	B6	H12	121.455	N3	B4	H10	121.455
N3	B5	H11	121.455	B4	N2	B6	122.909
B4	N2	H8	118.545	B4	N3	B5	122.909
B4	N3	H9	118.545	B5	N1	B6	122.909
B5	N1	H7	118.545	B5	N3	H9	118.545
B6	N1	H7	118.545	B6	N2	H8	118.545

All results from a given calculation for B₃N₃H₆ (borazine)

using model chemistry: QCISD/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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All results from a given calculation for B3N3H6 (borazine)

using model chemistry: QCISD/6-31G**

States and conformations

All results from a given calculation for B₃N₃H₆ (borazine)