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	hartrees
Energy at 0K	-239.536720
Energy at 298.15K	-239.546022
Nuclear repulsion energy	197.614559

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3786	3351	0.00
2	A₁'	3069	2716	0.00
3	A₁'	1018	901	0.00
4	A₁'	924	818	0.00
5	A₂'	1426	1262	0.00
6	A₂'	1314	1163	0.00
7	A₂'	1144	1012	0.00
8	A₂"	1012	895	306.98
9	A₂"	776	687	14.94
10	A₂"	470	416	23.77
11	E'	3787	3351	25.95
11	E'	3787	3351	25.94
12	E'	3066	2714	30.69
12	E'	3066	2714	30.69
13	E'	1618	1432	378.89
13	E'	1618	1432	378.89
14	E'	1539	1362	0.04
14	E'	1539	1362	0.04
15	E'	1176	1041	0.39
15	E'	1176	1041	0.39
16	E'	1028	910	1.92
16	E'	1028	910	1.92
17	E'	559	495	1.32
17	E'	559	495	1.32
18	E"	993	879	0.00
18	E"	993	879	0.00
19	E"	793	702	0.00
19	E"	793	702	0.00
20	E"	319	283	0.00
20	E"	319	283	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.405
N2	1.217	-0.702
N3	-1.217	-0.702
B4	0.000	-1.455
B5	-1.260	0.727
B6	1.260	0.727
H7	0.000	2.445
H8	2.118	-1.223
H9	-2.118	-1.223
H10	0.000	-2.626
H11	-2.275	1.313
H12	2.275	1.313

	N1	N2	N3	B4	B5	B6	H7	H8	H9	H10	H11	H12
N1		2.4332	2.4332	2.8594	1.4304	1.4304	1.0404	3.3745	3.3745	4.0312	2.2764	2.2764
N2	2.4332		2.4332	1.4304	2.8594	1.4304	3.3745	1.0404	3.3745	2.2764	4.0312	2.2764
N3	2.4332	2.4332		1.4304	1.4304	2.8594	3.3745	3.3745	1.0404	2.2764	2.2764	4.0312
B4	2.8594	1.4304	1.4304		2.5195	2.5195	3.8998	2.1303	2.1303	1.1718	3.5825	3.5825
B5	1.4304	2.8594	1.4304	2.5195		2.5195	2.1303	3.8998	2.1303	3.5825	1.1718	3.5825
B6	1.4304	1.4304	2.8594	2.5195	2.5195		2.1303	2.1303	3.8998	3.5825	3.5825	1.1718
H7	1.0404	3.3745	3.3745	3.8998	2.1303	2.1303		4.2352	4.2352	5.0716	2.5406	2.5406
H8	3.3745	1.0404	3.3745	2.1303	3.8998	2.1303	4.2352		4.2352	2.5406	5.0716	2.5406
H9	3.3745	3.3745	1.0404	2.1303	2.1303	3.8998	4.2352	4.2352		2.5406	2.5406	5.0716
H10	4.0312	2.2764	2.2764	1.1718	3.5825	3.5825	5.0716	2.5406	2.5406		4.5490	4.5490
H11	2.2764	4.0312	2.2764	3.5825	1.1718	3.5825	2.5406	5.0716	2.5406	4.5490		4.5490
H12	2.2764	2.2764	4.0312	3.5825	3.5825	1.1718	2.5406	2.5406	5.0716	4.5490	4.5490

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B5	N3	116.542	N1	B5	H11	121.729
N1	B6	N2	116.542	N1	B6	H12	121.729
N2	B4	N3	116.541	N2	B4	H10	121.729
N2	B6	H12	121.729	N3	B4	H10	121.729
N3	B5	H11	121.729	B4	N2	B6	123.459
B4	N2	H8	118.271	B4	N3	B5	123.459
B4	N3	H9	118.271	B5	N1	B6	123.458
B5	N1	H7	118.271	B5	N3	H9	118.271
B6	N1	H7	118.271	B6	N2	H8	118.271

All results from a given calculation for B₃N₃H₆ (borazine)

using model chemistry: B3PW91/STO-3G

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	-0.432
2	N	-0.432
3	N	-0.432
4	B	0.292
5	B	0.292
6	B	0.292
7	H	0.202
8	H	0.202
9	H	0.202
10	H	-0.062
11	H	-0.062
12	H	-0.062

<r²>	131.625
(<r²>)^1/2	11.473

All results from a given calculation for B3N3H6 (borazine)

using model chemistry: B3PW91/STO-3G

States and conformations

All results from a given calculation for B₃N₃H₆ (borazine)