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	hartrees
Energy at 0K	-242.630923
Energy at 298.15K	-242.640215
Nuclear repulsion energy	196.637512

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3519	3505	0.00
2	A₁'	2569	2559	0.00
3	A₁'	920	916	0.00
4	A₁'	841	837	0.00
5	A₂'	1289	1284	0.00
6	A₂'	1188	1183	0.00
7	A₂'	1021	1017	0.00
8	A₂"	904	900	181.29
9	A₂"	714	711	49.36
10	A₂"	403	402	21.18
11	E'	3521	3507	32.01
11	E'	3521	3507	32.01
12	E'	2560	2550	283.01
12	E'	2560	2550	282.98
13	E'	1437	1431	405.25
13	E'	1437	1431	405.22
14	E'	1358	1353	39.70
14	E'	1358	1353	39.69
15	E'	1055	1051	0.00
15	E'	1055	1051	0.00
16	E'	914	911	0.04
16	E'	914	911	0.04
17	E'	516	514	0.63
17	E'	516	514	0.63
18	E"	894	890	0.00
18	E"	894	890	0.00
19	E"	701	698	0.00
19	E"	701	698	0.00
20	E"	285	284	0.00
20	E"	285	284	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	-1.462
B5	-1.266	0.731
B6	1.266	0.731
H7	0.000	2.432
H8	2.107	-1.216
H9	-2.107	-1.216
H10	0.000	-2.659
H11	-2.303	1.329
H12	2.303	1.329

	N1	N2	N3	B4	B5	B6	H7	H8	H9	H10	H11	H12
N1		2.4523	2.4523	2.8774	1.4392	1.4392	1.0166	3.3712	3.3712	4.0747	2.3042	2.3042
N2	2.4523		2.4523	1.4392	2.8774	1.4392	3.3712	1.0166	3.3712	2.3042	4.0747	2.3042
N3	2.4523	2.4523		1.4392	1.4392	2.8774	3.3712	3.3712	1.0166	2.3042	2.3042	4.0747
B4	2.8774	1.4392	1.4392		2.5314	2.5314	3.8939	2.1208	2.1208	1.1973	3.6182	3.6182
B5	1.4392	2.8774	1.4392	2.5314		2.5314	2.1208	3.8939	2.1208	3.6182	1.1973	3.6182
B6	1.4392	1.4392	2.8774	2.5314	2.5314		2.1208	2.1208	3.8939	3.6182	3.6182	1.1973
H7	1.0166	3.3712	3.3712	3.8939	2.1208	2.1208		4.2131	4.2131	5.0912	2.5532	2.5532
H8	3.3712	1.0166	3.3712	2.1208	3.8939	2.1208	4.2131		4.2131	2.5532	5.0912	2.5532
H9	3.3712	3.3712	1.0166	2.1208	2.1208	3.8939	4.2131	4.2131		2.5532	2.5532	5.0912
H10	4.0747	2.3042	2.3042	1.1973	3.6182	3.6182	5.0912	2.5532	2.5532		4.6052	4.6052
H11	2.3042	4.0747	2.3042	3.6182	1.1973	3.6182	2.5532	5.0912	2.5532	4.6052		4.6052
H12	2.3042	2.3042	4.0747	3.6182	3.6182	1.1973	2.5532	2.5532	5.0912	4.6052	4.6052

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B5	N3	116.850	N1	B5	H11	121.575
N1	B6	N2	116.850	N1	B6	H12	121.575
N2	B4	N3	116.850	N2	B4	H10	121.575
N2	B6	H12	121.575	N3	B4	H10	121.575
N3	B5	H11	121.575	B4	N2	B6	123.150
B4	N2	H8	118.425	B4	N3	B5	123.150
B4	N3	H9	118.425	B5	N1	B6	123.150
B5	N1	H7	118.425	B5	N3	H9	118.425
B6	N1	H7	118.425	B6	N2	H8	118.425

All results from a given calculation for B₃N₃H₆ (borazine)

using model chemistry: BLYP/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	-0.307
2	N	-0.307
3	N	-0.307
4	B	0.191
5	B	0.191
6	B	0.191
7	H	0.200
8	H	0.200
9	H	0.200
10	H	-0.083
11	H	-0.083
12	H	-0.083

<r²>	135.361
(<r²>)^1/2	11.634

All results from a given calculation for B3N3H6 (borazine)

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

States and conformations

All results from a given calculation for B₃N₃H₆ (borazine)