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	hartrees
Energy at 0K	-241.254148
Energy at 298.15K	-241.263725
HF Energy	-241.254148
Nuclear repulsion energy	196.317422

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3552	3364	0.00
2	A₁'	2749	2604	0.00
3	A₁'	965	914	0.00
4	A₁'	872	826	0.00
5	A₂'	1346	1275	0.00
6	A₂'	1257	1191	0.00
7	A₂'	1041	986	0.00
8	A₂"	1002	949	359.01
9	A₂"	738	699	65.16
10	A₂"	470	445	26.70
11	E'	3553	3365	55.09
11	E'	3553	3365	55.20
12	E'	2738	2593	255.94
12	E'	2738	2593	255.42
13	E'	1511	1431	540.85
13	E'	1511	1431	540.76
14	E'	1427	1352	11.95
14	E'	1427	1352	12.01
15	E'	1096	1038	0.56
15	E'	1096	1038	0.50
16	E'	951	901	0.95
16	E'	951	901	0.96
17	E'	527	499	0.34
17	E'	527	499	0.35
18	E"	955	905	0.00
18	E"	955	905	0.00
19	E"	779	738	0.00
19	E"	779	738	0.00
20	E"	306	290	0.00
20	E"	306	290	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.420
N2	1.230	-0.710
N3	-1.230	-0.710
B4	0.000	-1.463
B5	-1.267	0.732
B6	1.267	0.732
H7	0.000	2.439
H8	2.112	-1.220
H9	-2.112	-1.220
H10	0.000	-2.654
H11	-2.298	1.327
H12	2.298	1.327

	N1	N2	N3	B4	B5	B6	H7	H8	H9	H10	H11	H12
N1		2.4595	2.4595	2.8833	1.4421	1.4421	1.0192	3.3808	3.3808	4.0739	2.3002	2.3002
N2	2.4595		2.4595	1.4421	2.8833	1.4421	3.3808	1.0192	3.3808	2.3002	4.0739	2.3002
N3	2.4595	2.4595		1.4421	1.4421	2.8833	3.3808	3.3808	1.0192	2.3002	2.3002	4.0739
B4	2.8833	1.4421	1.4421		2.5345	2.5345	3.9025	2.1264	2.1264	1.1906	3.6149	3.6149
B5	1.4421	2.8833	1.4421	2.5345		2.5345	2.1264	3.9025	2.1264	3.6149	1.1906	3.6149
B6	1.4421	1.4421	2.8833	2.5345	2.5345		2.1264	2.1264	3.9025	3.6149	3.6149	1.1906
H7	1.0192	3.3808	3.3808	3.9025	2.1264	2.1264		4.2248	4.2248	5.0931	2.5533	2.5533
H8	3.3808	1.0192	3.3808	2.1264	3.9025	2.1264	4.2248		4.2248	2.5533	5.0931	2.5533
H9	3.3808	3.3808	1.0192	2.1264	2.1264	3.9025	4.2248	4.2248		2.5533	2.5533	5.0931
H10	4.0739	2.3002	2.3002	1.1906	3.6149	3.6149	5.0931	2.5533	2.5533		4.5967	4.5967
H11	2.3002	4.0739	2.3002	3.6149	1.1906	3.6149	2.5533	5.0931	2.5533	4.5967		4.5967
H12	2.3002	2.3002	4.0739	3.6149	3.6149	1.1906	2.5533	2.5533	5.0931	4.5967	4.5967

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B5	N3	117.023	N1	B5	H11	121.489
N1	B6	N2	117.023	N1	B6	H12	121.489
N2	B4	N3	117.023	N2	B4	H10	121.489
N2	B6	H12	121.489	N3	B4	H10	121.489
N3	B5	H11	121.489	B4	N2	B6	122.977
B4	N2	H8	118.511	B4	N3	B5	122.977
B4	N3	H9	118.511	B5	N1	B6	122.977
B5	N1	H7	118.511	B5	N3	H9	118.511
B6	N1	H7	118.511	B6	N2	H8	118.511

All results from a given calculation for B₃N₃H₆ (borazine)

using model chemistry: M06-2X/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	-0.811
2	N	-0.811
3	N	-0.811
4	B	0.495
5	B	0.495
6	B	0.495
7	H	0.318
8	H	0.318
9	H	0.318
10	H	-0.002
11	H	-0.002
12	H	-0.002

<r²>	135.120
(<r²>)^1/2	11.624

All results from a given calculation for B3N3H6 (borazine)

using model chemistry: M06-2X/3-21G*

States and conformations

All results from a given calculation for B₃N₃H₆ (borazine)