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	hartrees
Energy at 0K	-242.653415
Energy at 298.15K	-242.662814
HF Energy	-242.653415
Nuclear repulsion energy	198.141074

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3677	3517	0.00
2	A₁'	2604	2491	0.00
3	A₁'	954	912	0.00
4	A₁'	870	832	0.00
5	A₂'	1328	1271	0.00
6	A₂'	1254	1200	0.00
7	A₂'	1051	1005	0.00
8	A₂"	936	896	221.18
9	A₂"	730	698	56.83
10	A₂"	396	378	26.95
11	E'	3679	3519	50.71
11	E'	3679	3519	50.75
12	E'	2594	2481	307.78
12	E'	2594	2481	308.16
13	E'	1507	1442	540.74
13	E'	1507	1442	541.07
14	E'	1409	1348	14.99
14	E'	1409	1348	14.98
15	E'	1086	1039	0.03
15	E'	1086	1039	0.03
16	E'	948	906	0.09
16	E'	948	906	0.09
17	E'	528	505	0.32
17	E'	528	505	0.33
18	E"	922	882	0.00
18	E"	922	882	0.00
19	E"	716	685	0.00
19	E"	716	685	0.00
20	E"	283	271	0.00
20	E"	283	271	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.401
N2	1.214	-0.701
N3	-1.214	-0.701
B4	0.000	-1.429
B5	-1.238	0.715
B6	1.238	0.715
H7	0.000	2.403
H8	2.081	-1.201
H9	-2.081	-1.201
H10	0.000	-2.553
H11	-2.211	1.277
H12	2.211	1.277

	N1	N2	N3	B4	B5	B6	H7	H8	H9	H10	H11	H12
N1		2.4273	2.4273	2.8305	1.4154	1.4154	1.0016	3.3325	3.3325	3.9548	2.2148	2.2148
N2	2.4273		2.4273	1.4154	2.8305	1.4154	3.3325	1.0016	3.3325	2.2148	3.9548	2.2148
N3	2.4273	2.4273		1.4154	1.4154	2.8305	3.3325	3.3325	1.0016	2.2148	2.2148	3.9548
B4	2.8305	1.4154	1.4154		2.4752	2.4752	3.8320	2.0934	2.0934	1.1244	3.4944	3.4944
B5	1.4154	2.8305	1.4154	2.4752		2.4752	2.0934	3.8320	2.0934	3.4944	1.1244	3.4944
B6	1.4154	1.4154	2.8305	2.4752	2.4752		2.0934	2.0934	3.8320	3.4944	3.4944	1.1244
H7	1.0016	3.3325	3.3325	3.8320	2.0934	2.0934		4.1620	4.1620	4.9564	2.4816	2.4816
H8	3.3325	1.0016	3.3325	2.0934	3.8320	2.0934	4.1620		4.1620	2.4816	4.9564	2.4816
H9	3.3325	3.3325	1.0016	2.0934	2.0934	3.8320	4.1620	4.1620		2.4816	2.4816	4.9564
H10	3.9548	2.2148	2.2148	1.1244	3.4944	3.4944	4.9564	2.4816	2.4816		4.4226	4.4226
H11	2.2148	3.9548	2.2148	3.4944	1.1244	3.4944	2.4816	4.9564	2.4816	4.4226		4.4226
H12	2.2148	2.2148	3.9548	3.4944	3.4944	1.1244	2.4816	2.4816	4.9564	4.4226	4.4226

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B5	N3	118.060	N1	B5	H11	120.970
N1	B6	N2	118.060	N1	B6	H12	120.970
N2	B4	N3	118.060	N2	B4	H10	120.970
N2	B6	H12	120.970	N3	B4	H10	120.970
N3	B5	H11	120.970	B4	N2	B6	121.940
B4	N2	H8	119.030	B4	N3	B5	121.940
B4	N3	H9	119.030	B5	N1	B6	121.940
B5	N1	H7	119.030	B5	N3	H9	119.030
B6	N1	H7	119.030	B6	N2	H8	119.030

All results from a given calculation for B₃N₃H₆ (borazine)

using model chemistry: wB97X-D/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	-0.352
2	N	-0.352
3	N	-0.352
4	B	0.186
5	B	0.186
6	B	0.186
7	H	0.220
8	H	0.220
9	H	0.220
10	H	-0.054
11	H	-0.054
12	H	-0.054

<r²>	133.246
(<r²>)^1/2	11.543

All results from a given calculation for B3N3H6 (borazine)

using model chemistry: wB97X-D/6-311G**

States and conformations

All results from a given calculation for B₃N₃H₆ (borazine)