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	hartrees
Energy at 0K	-242.394505
Energy at 298.15K	-242.403759
Nuclear repulsion energy	197.030954

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3553	3521	0.00
2	A₁'	2566	2542	0.00
3	A₁'	921	913	0.00
4	A₁'	840	833	0.00
5	A₂'	1276	1265	0.00
6	A₂'	1216	1205	0.00
7	A₂'	1006	997	0.00
8	A₂"	894	885	175.69
9	A₂"	713	707	48.25
10	A₂"	398	394	21.67
11	E'	3555	3523	42.79
11	E'	3555	3523	42.78
12	E'	2556	2533	268.44
12	E'	2556	2533	268.47
13	E'	1446	1432	420.60
13	E'	1446	1432	420.55
14	E'	1356	1344	12.26
14	E'	1356	1344	12.24
15	E'	1051	1042	0.34
15	E'	1051	1042	0.34
16	E'	916	908	0.06
16	E'	916	908	0.06
17	E'	509	505	0.58
17	E'	509	505	0.58
18	E"	883	875	0.00
18	E"	883	875	0.00
19	E"	699	693	0.00
19	E"	699	693	0.00
20	E"	281	278	0.00
20	E"	281	278	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.413
N2	1.223	-0.706
N3	-1.223	-0.706
B4	0.000	-1.457
B5	-1.262	0.729
B6	1.262	0.729
H7	0.000	2.429
H8	2.103	-1.214
H9	-2.103	-1.214
H10	0.000	-2.660
H11	-2.303	1.330
H12	2.303	1.330

	N1	N2	N3	B4	B5	B6	H7	H8	H9	H10	H11	H12
N1		2.4466	2.4466	2.8696	1.4353	1.4353	1.0160	3.3650	3.3650	4.0722	2.3049	2.3049
N2	2.4466		2.4466	1.4353	2.8696	1.4353	3.3650	1.0160	3.3650	2.3049	4.0722	2.3049
N3	2.4466	2.4466		1.4353	1.4353	2.8696	3.3650	3.3650	1.0160	2.3049	2.3049	4.0722
B4	2.8696	1.4353	1.4353		2.5238	2.5238	3.8856	2.1171	2.1171	1.2026	3.6156	3.6156
B5	1.4353	2.8696	1.4353	2.5238		2.5238	2.1171	3.8856	2.1171	3.6156	1.2026	3.6156
B6	1.4353	1.4353	2.8696	2.5238	2.5238		2.1171	2.1171	3.8856	3.6156	3.6156	1.2026
H7	1.0160	3.3650	3.3650	3.8856	2.1171	2.1171		4.2063	4.2063	5.0882	2.5520	2.5520
H8	3.3650	1.0160	3.3650	2.1171	3.8856	2.1171	4.2063		4.2063	2.5520	5.0882	2.5520
H9	3.3650	3.3650	1.0160	2.1171	2.1171	3.8856	4.2063	4.2063		2.5520	2.5520	5.0882
H10	4.0722	2.3049	2.3049	1.2026	3.6156	3.6156	5.0882	2.5520	2.5520		4.6068	4.6068
H11	2.3049	4.0722	2.3049	3.6156	1.2026	3.6156	2.5520	5.0882	2.5520	4.6068		4.6068
H12	2.3049	2.3049	4.0722	3.6156	3.6156	1.2026	2.5520	2.5520	5.0882	4.6068	4.6068

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B5	N3	116.919	N1	B5	H11	121.541
N1	B6	N2	116.919	N1	B6	H12	121.541
N2	B4	N3	116.919	N2	B4	H10	121.541
N2	B6	H12	121.541	N3	B4	H10	121.541
N3	B5	H11	121.541	B4	N2	B6	123.081
B4	N2	H8	118.459	B4	N3	B5	123.081
B4	N3	H9	118.459	B5	N1	B6	123.081
B5	N1	H7	118.459	B5	N3	H9	118.459
B6	N1	H7	118.459	B6	N2	H8	118.459

All results from a given calculation for B₃N₃H₆ (borazine)

using model chemistry: PBEPBE/6-311G**

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	-0.312
2	N	-0.312
3	N	-0.312
4	B	0.159
5	B	0.159
6	B	0.159
7	H	0.208
8	H	0.208
9	H	0.208
10	H	-0.054
11	H	-0.054
12	H	-0.054

<r²>	134.690
(<r²>)^1/2	11.606

All results from a given calculation for B3N3H6 (borazine)

using model chemistry: PBEPBE/6-311G**

States and conformations

All results from a given calculation for B₃N₃H₆ (borazine)