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	hartrees
Energy at 0K	-242.634781
Energy at 298.15K	-242.644153
Nuclear repulsion energy	198.642679

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3655	3499	0.00
2	A₁'	2625	2513	0.00
3	A₁'	946	906	0.00
4	A₁'	860	823	0.00
5	A₂'	1308	1252	0.00
6	A₂'	1248	1195	0.00
7	A₂'	1037	992	0.00
8	A₂"	928	889	187.40
9	A₂"	728	697	51.29
10	A₂"	403	386	19.47
11	E'	3657	3500	52.67
11	E'	3657	3500	52.75
12	E'	2616	2503	291.15
12	E'	2616	2503	291.30
13	E'	1488	1424	502.93
13	E'	1488	1424	502.88
14	E'	1393	1334	8.94
14	E'	1393	1334	8.94
15	E'	1078	1032	0.10
15	E'	1078	1032	0.10
16	E'	942	901	0.03
16	E'	942	901	0.03
17	E'	512	490	0.41
17	E'	512	490	0.41
18	E"	916	876	0.00
18	E"	916	876	0.00
19	E"	719	688	0.00
19	E"	719	688	0.00
20	E"	282	270	0.00
20	E"	282	270	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.402
N2	1.214	-0.701
N3	-1.214	-0.701
B4	0.000	-1.445
B5	-1.251	0.722
B6	1.251	0.722
H7	0.000	2.407
H8	2.084	-1.203
H9	-2.084	-1.203
H10	0.000	-2.637
H11	-2.284	1.319
H12	2.284	1.319

	N1	N2	N3	B4	B5	B6	H7	H8	H9	H10	H11	H12
N1		2.4290	2.4290	2.8472	1.4241	1.4241	1.0044	3.3368	3.3368	4.0398	2.2856	2.2856
N2	2.4290		2.4290	1.4241	2.8472	1.4241	3.3368	1.0044	3.3368	2.2856	4.0398	2.2856
N3	2.4290	2.4290		1.4241	1.4241	2.8472	3.3368	3.3368	1.0044	2.2856	2.2856	4.0398
B4	2.8472	1.4241	1.4241		2.5026	2.5026	3.8516	2.0982	2.0982	1.1926	3.5853	3.5853
B5	1.4241	2.8472	1.4241	2.5026		2.5026	2.0982	3.8516	2.0982	3.5853	1.1926	3.5853
B6	1.4241	1.4241	2.8472	2.5026	2.5026		2.0982	2.0982	3.8516	3.5853	3.5853	1.1926
H7	1.0044	3.3368	3.3368	3.8516	2.0982	2.0982		4.1686	4.1686	5.0441	2.5300	2.5300
H8	3.3368	1.0044	3.3368	2.0982	3.8516	2.0982	4.1686		4.1686	2.5300	5.0441	2.5300
H9	3.3368	3.3368	1.0044	2.0982	2.0982	3.8516	4.1686	4.1686		2.5300	2.5300	5.0441
H10	4.0398	2.2856	2.2856	1.1926	3.5853	3.5853	5.0441	2.5300	2.5300		4.5682	4.5682
H11	2.2856	4.0398	2.2856	3.5853	1.1926	3.5853	2.5300	5.0441	2.5300	4.5682		4.5682
H12	2.2856	2.2856	4.0398	3.5853	3.5853	1.1926	2.5300	2.5300	5.0441	4.5682	4.5682

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B5	N3	117.038	N1	B5	H11	121.481
N1	B6	N2	117.038	N1	B6	H12	121.481
N2	B4	N3	117.038	N2	B4	H10	121.481
N2	B6	H12	121.481	N3	B4	H10	121.481
N3	B5	H11	121.481	B4	N2	B6	122.962
B4	N2	H8	118.519	B4	N3	B5	122.962
B4	N3	H9	118.519	B5	N1	B6	122.962
B5	N1	H7	118.519	B5	N3	H9	118.519
B6	N1	H7	118.519	B6	N2	H8	118.519

All results from a given calculation for B₃N₃H₆ (borazine)

using model chemistry: B1B95/cc-pVTZ

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	-0.102
2	N	-0.102
3	N	-0.102
4	B	-0.051
5	B	-0.051
6	B	-0.051
7	H	0.167
8	H	0.167
9	H	0.167
10	H	-0.014
11	H	-0.014
12	H	-0.014

<r²>	132.774
(<r²>)^1/2	11.523

All results from a given calculation for B3N3H6 (borazine)

using model chemistry: B1B95/cc-pVTZ

States and conformations

All results from a given calculation for B₃N₃H₆ (borazine)