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	hartrees
Energy at 0K	-242.500898
Energy at 298.15K	-242.510339
Nuclear repulsion energy	195.762538

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3504	3477	0.00
2	A₁'	2616	2596	0.00
3	A₁'	931	924	0.00
4	A₁'	840	834	0.00
5	A₂'	1314	1304	0.00
6	A₂'	1205	1196	0.00
7	A₂'	1036	1028	0.00
8	A₂"	953	946	303.84
9	A₂"	726	720	56.35
10	A₂"	452	448	22.78
11	E'	3505	3478	16.39
11	E'	3505	3478	16.39
12	E'	2605	2585	287.82
12	E'	2605	2585	287.81
13	E'	1439	1428	388.25
13	E'	1439	1428	388.24
14	E'	1376	1366	50.21
14	E'	1376	1366	50.21
15	E'	1067	1059	0.12
15	E'	1067	1059	0.12
16	E'	915	908	0.02
16	E'	915	908	0.02
17	E'	522	518	0.56
17	E'	522	518	0.56
18	E"	918	911	0.00
18	E"	918	911	0.00
19	E"	755	749	0.00
19	E"	755	749	0.00
20	E"	303	300	0.00
20	E"	303	300	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.423
N2	1.232	-0.711
N3	-1.232	-0.711
B4	0.000	-1.468
B5	-1.272	0.734
B6	1.272	0.734
H7	0.000	2.443
H8	2.116	-1.222
H9	-2.116	-1.222
H10	0.000	-2.668
H11	-2.310	1.334
H12	2.310	1.334

	N1	N2	N3	B4	B5	B6	H7	H8	H9	H10	H11	H12
N1		2.4643	2.4643	2.8911	1.4461	1.4461	1.0203	3.3865	3.3865	4.0906	2.3121	2.3121
N2	2.4643		2.4643	1.4461	2.8911	1.4461	3.3865	1.0203	3.3865	2.3121	4.0906	2.3121
N3	2.4643	2.4643		1.4461	1.4461	2.8911	3.3865	3.3865	1.0203	2.3121	2.3121	4.0906
B4	2.8911	1.4461	1.4461		2.5432	2.5432	3.9113	2.1301	2.1301	1.1996	3.6319	3.6319
B5	1.4461	2.8911	1.4461	2.5432		2.5432	2.1301	3.9113	2.1301	3.6319	1.1996	3.6319
B6	1.4461	1.4461	2.8911	2.5432	2.5432		2.1301	2.1301	3.9113	3.6319	3.6319	1.1996
H7	1.0203	3.3865	3.3865	3.9113	2.1301	2.1301		4.2314	4.2314	5.1109	2.5629	2.5629
H8	3.3865	1.0203	3.3865	2.1301	3.9113	2.1301	4.2314		4.2314	2.5629	5.1109	2.5629
H9	3.3865	3.3865	1.0203	2.1301	2.1301	3.9113	4.2314	4.2314		2.5629	2.5629	5.1109
H10	4.0906	2.3121	2.3121	1.1996	3.6319	3.6319	5.1109	2.5629	2.5629		4.6209	4.6209
H11	2.3121	4.0906	2.3121	3.6319	1.1996	3.6319	2.5629	5.1109	2.5629	4.6209		4.6209
H12	2.3121	2.3121	4.0906	3.6319	3.6319	1.1996	2.5629	2.5629	5.1109	4.6209	4.6209

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B5	N3	116.872	N1	B5	H11	121.564
N1	B6	N2	116.872	N1	B6	H12	121.564
N2	B4	N3	116.872	N2	B4	H10	121.564
N2	B6	H12	121.564	N3	B4	H10	121.564
N3	B5	H11	121.564	B4	N2	B6	123.128
B4	N2	H8	118.436	B4	N3	B5	123.128
B4	N3	H9	118.436	B5	N1	B6	123.128
B5	N1	H7	118.436	B5	N3	H9	118.436
B6	N1	H7	118.436	B6	N2	H8	118.436

All results from a given calculation for B₃N₃H₆ (borazine)

using model chemistry: BLYP/6-31G

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	-0.658
2	N	-0.658
3	N	-0.658
4	B	0.435
5	B	0.435
6	B	0.435
7	H	0.286
8	H	0.286
9	H	0.286
10	H	-0.063
11	H	-0.063
12	H	-0.063

<r²>	135.814
(<r²>)^1/2	11.654

All results from a given calculation for B3N3H6 (borazine)

using model chemistry: BLYP/6-31G

States and conformations

All results from a given calculation for B₃N₃H₆ (borazine)