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	hartrees
Energy at 0K	-242.497754
Energy at 298.15K	-242.506931
HF Energy	-242.497754
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3550	3480	0.00
2	A₁'	2605	2554	0.00
3	A₁'	919	901	0.00
4	A₁'	841	825	0.00
5	A₂'	1286	1261	0.00
6	A₂'	1212	1188	0.00
7	A₂'	1021	1001	0.00
8	A₂"	899	881	226.89
9	A₂"	717	703	56.54
10	A₂"	384	376	25.12
11	E'	3551	3482	28.34
11	E'	3551	3482	28.34
12	E'	2594	2544	308.74
12	E'	2594	2544	308.84
13	E'	1455	1426	447.43
13	E'	1455	1426	447.47
14	E'	1367	1340	19.25
14	E'	1367	1340	19.24
15	E'	1054	1033	0.21
15	E'	1054	1033	0.21
16	E'	918	900	0.04
16	E'	918	900	0.04
17	E'	511	501	0.68
17	E'	511	501	0.68
18	E"	893	875	0.00
18	E"	893	875	0.00
19	E"	688	675	0.00
19	E"	688	675	0.00
20	E"	277	271	0.00
20	E"	277	271	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.416
N2	1.226	-0.708
N3	-1.226	-0.708
B4	0.000	-1.461
B5	-1.265	0.730
B6	1.265	0.730
H7	0.000	2.430
H8	2.105	-1.215
H9	-2.105	-1.215
H10	0.000	-2.664
H11	-2.307	1.332
H12	2.307	1.332

	N1	N2	N3	B4	B5	B6	H7	H8	H9	H10	H11	H12
N1		2.4526	2.4526	2.8766	1.4388	1.4388	1.0142	3.3693	3.3693	4.0804	2.3089	2.3089
N2	2.4526		2.4526	1.4388	2.8766	1.4388	3.3693	1.0142	3.3693	2.3089	4.0804	2.3089
N3	2.4526	2.4526		1.4388	1.4388	2.8766	3.3693	3.3693	1.0142	2.3089	2.3089	4.0804
B4	2.8766	1.4388	1.4388		2.5298	2.5298	3.8908	2.1189	2.1189	1.2038	3.6227	3.6227
B5	1.4388	2.8766	1.4388	2.5298		2.5298	2.1189	3.8908	2.1189	3.6227	1.2038	3.6227
B6	1.4388	1.4388	2.8766	2.5298	2.5298		2.1189	2.1189	3.8908	3.6227	3.6227	1.2038
H7	1.0142	3.3693	3.3693	3.8908	2.1189	2.1189		4.2092	4.2092	5.0946	2.5553	2.5553
H8	3.3693	1.0142	3.3693	2.1189	3.8908	2.1189	4.2092		4.2092	2.5553	5.0946	2.5553
H9	3.3693	3.3693	1.0142	2.1189	2.1189	3.8908	4.2092	4.2092		2.5553	2.5553	5.0946
H10	4.0804	2.3089	2.3089	1.2038	3.6227	3.6227	5.0946	2.5553	2.5553		4.6148	4.6148
H11	2.3089	4.0804	2.3089	3.6227	1.2038	3.6227	2.5553	5.0946	2.5553	4.6148		4.6148
H12	2.3089	2.3089	4.0804	3.6227	3.6227	1.2038	2.5553	2.5553	5.0946	4.6148	4.6148

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B5	N3	118.109	N1	B5	H11	120.945
N1	B6	N2	118.109	N1	B6	H12	120.945
N2	B4	N3	118.109	N2	B4	H10	120.945
N2	B6	H12	120.945	N3	B4	H10	120.945
N3	B5	H11	120.945	B4	N2	B6	121.891
B4	N2	H8	119.055	B4	N3	B5	121.891
B4	N3	H9	119.055	B5	N1	B6	121.891
B5	N1	H7	119.055	B5	N3	H9	119.055
B6	N1	H7	119.055	B6	N2	H8	119.055

All results from a given calculation for B₃N₃H₆ (borazine)

using model chemistry: B97D3/6-31G*

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	-0.545
2	N	-0.545
3	N	-0.545
4	B	0.277
5	B	0.277
6	B	0.277
7	H	0.319
8	H	0.319
9	H	0.319
10	H	-0.051
11	H	-0.051
12	H	-0.051

<r²>	134.612
(<r²>)^1/2	11.602

All results from a given calculation for B3N3H6 (borazine)

using model chemistry: B97D3/6-31G*

States and conformations

All results from a given calculation for B₃N₃H₆ (borazine)