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	hartrees
Energy at 0K	-239.842576
Energy at 298.15K	-239.852386
Nuclear repulsion energy	196.692922

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3768	3401	0.00
2	A₁'	2749	2481	0.00
3	A₁'	1012	914	0.00
4	A₁'	902	814	0.00
5	A₂'	1456	1315	0.00
6	A₂'	1294	1168	0.00
7	A₂'	1119	1010	0.00
8	A₂"	1089	982	581.73
9	A₂"	773	698	75.26
10	A₂"	490	442	26.48
11	E'	3769	3402	52.12
11	E'	3769	3402	52.12
12	E'	2734	2467	374.88
12	E'	2734	2467	374.88
13	E'	1587	1433	577.83
13	E'	1587	1433	577.83
14	E'	1502	1356	177.15
14	E'	1502	1356	177.15
15	E'	1150	1038	0.94
15	E'	1150	1038	0.94
16	E'	988	892	2.41
16	E'	988	892	2.41
17	E'	557	502	0.05
17	E'	557	502	0.05
18	E"	1029	929	0.00
18	E"	1029	929	0.00
19	E"	819	740	0.00
19	E"	819	740	0.00
20	E"	315	284	0.00
20	E"	315	284	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.423
N2	1.232	-0.712
N3	-1.232	-0.712
B4	0.000	-1.458
B5	-1.263	0.729
B6	1.263	0.729
H7	0.000	2.424
H8	2.100	-1.212
H9	-2.100	-1.212
H10	0.000	-2.648
H11	-2.293	1.324
H12	2.293	1.324

	N1	N2	N3	B4	B5	B6	H7	H8	H9	H10	H11	H12
N1		2.4649	2.4649	2.8813	1.4410	1.4410	1.0014	3.3695	3.3695	4.0713	2.2956	2.2956
N2	2.4649		2.4649	1.4410	2.8813	1.4410	3.3695	1.0014	3.3695	2.2956	4.0713	2.2956
N3	2.4649	2.4649		1.4410	1.4410	2.8813	3.3695	3.3695	1.0014	2.2956	2.2956	4.0713
B4	2.8813	1.4410	1.4410		2.5257	2.5257	3.8827	2.1140	2.1140	1.1900	3.6057	3.6057
B5	1.4410	2.8813	1.4410	2.5257		2.5257	2.1140	3.8827	2.1140	3.6057	1.1900	3.6057
B6	1.4410	1.4410	2.8813	2.5257	2.5257		2.1140	2.1140	3.8827	3.6057	3.6057	1.1900
H7	1.0014	3.3695	3.3695	3.8827	2.1140	2.1140		4.1993	4.1993	5.0727	2.5437	2.5437
H8	3.3695	1.0014	3.3695	2.1140	3.8827	2.1140	4.1993		4.1993	2.5437	5.0727	2.5438
H9	3.3695	3.3695	1.0014	2.1140	2.1140	3.8827	4.1993	4.1993		2.5437	2.5438	5.0727
H10	4.0713	2.2956	2.2956	1.1900	3.6057	3.6057	5.0727	2.5437	2.5437		4.5869	4.5869
H11	2.2956	4.0713	2.2956	3.6057	1.1900	3.6057	2.5437	5.0727	2.5438	4.5869		4.5869
H12	2.2956	2.2956	4.0713	3.6057	3.6057	1.1900	2.5437	2.5438	5.0727	4.5869	4.5869

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B5	N3	117.582	N1	B5	H11	121.209
N1	B6	N2	117.582	N1	B6	H12	121.209
N2	B4	N3	117.582	N2	B4	H10	121.209
N2	B6	H12	121.209	N3	B4	H10	121.209
N3	B5	H11	121.209	B4	N2	B6	122.418
B4	N2	H8	118.791	B4	N3	B5	122.418
B4	N3	H9	118.791	B5	N1	B6	122.418
B5	N1	H7	118.791	B5	N3	H9	118.791
B6	N1	H7	118.791	B6	N2	H8	118.791

All results from a given calculation for B₃N₃H₆ (borazine)

using model chemistry: HF/3-21G*

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	-1.011
2	N	-1.011
3	N	-1.011
4	B	0.746
5	B	0.746
6	B	0.746
7	H	0.336
8	H	0.336
9	H	0.336
10	H	-0.071
11	H	-0.071
12	H	-0.071

<r²>	135.184
(<r²>)^1/2	11.627

All results from a given calculation for B3N3H6 (borazine)

using model chemistry: HF/3-21G*

States and conformations

All results from a given calculation for B₃N₃H₆ (borazine)