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	hartrees
Energy at 0K	-242.562709
Energy at 298.15K	-242.572031
Nuclear repulsion energy	197.813228

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3640	3483	0.00
2	A₁'	2650	2536	0.00
3	A₁'	945	904	0.00
4	A₁'	863	826	0.00
5	A₂'	1314	1257	0.00
6	A₂'	1255	1201	0.00
7	A₂'	1042	997	0.00
8	A₂"	931	891	252.27
9	A₂"	734	702	61.82
10	A₂"	398	381	27.86
11	E'	3642	3484	43.29
11	E'	3642	3484	43.29
12	E'	2640	2526	296.05
12	E'	2640	2526	296.04
13	E'	1500	1435	497.34
13	E'	1500	1435	497.34
14	E'	1400	1340	7.17
14	E'	1400	1340	7.17
15	E'	1076	1030	0.53
15	E'	1076	1030	0.53
16	E'	944	903	0.02
16	E'	944	903	0.02
17	E'	519	497	0.58
17	E'	519	497	0.58
18	E"	920	881	0.00
18	E"	920	881	0.00
19	E"	712	681	0.00
19	E"	712	681	0.00
20	E"	285	273	0.00
20	E"	285	273	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.409
N2	1.220	-0.704
N3	-1.220	-0.704
B4	0.000	-1.449
B5	-1.255	0.725
B6	1.255	0.725
H7	0.000	2.419
H8	2.095	-1.210
H9	-2.095	-1.210
H10	0.000	-2.649
H11	-2.294	1.324
H12	2.294	1.324

	N1	N2	N3	B4	B5	B6	H7	H8	H9	H10	H11	H12
N1		2.4404	2.4404	2.8581	1.4295	1.4295	1.0103	3.3536	3.3536	4.0575	2.2953	2.2953
N2	2.4404		2.4404	1.4295	2.8581	1.4295	3.3536	1.0103	3.3536	2.2953	4.0575	2.2953
N3	2.4404	2.4404		1.4295	1.4295	2.8581	3.3536	3.3536	1.0103	2.2953	2.2953	4.0575
B4	2.8581	1.4295	1.4295		2.5100	2.5100	3.8684	2.1088	2.1088	1.1994	3.5991	3.5991
B5	1.4295	2.8581	1.4295	2.5100		2.5100	2.1088	3.8684	2.1088	3.5991	1.1994	3.5991
B6	1.4295	1.4295	2.8581	2.5100	2.5100		2.1088	2.1088	3.8684	3.5991	3.5991	1.1994
H7	1.0103	3.3536	3.3536	3.8684	2.1088	2.1088		4.1902	4.1902	5.0678	2.5417	2.5417
H8	3.3536	1.0103	3.3536	2.1088	3.8684	2.1088	4.1902		4.1902	2.5417	5.0678	2.5417
H9	3.3536	3.3536	1.0103	2.1088	2.1088	3.8684	4.1902	4.1902		2.5417	2.5417	5.0678
H10	4.0575	2.2953	2.2953	1.1994	3.5991	3.5991	5.0678	2.5417	2.5417		4.5875	4.5875
H11	2.2953	4.0575	2.2953	3.5991	1.1994	3.5991	2.5417	5.0678	2.5417	4.5875		4.5875
H12	2.2953	2.2953	4.0575	3.5991	3.5991	1.1994	2.5417	2.5417	5.0678	4.5875	4.5875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B5	N3	117.208	N1	B5	H11	121.396
N1	B6	N2	117.208	N1	B6	H12	121.396
N2	B4	N3	117.208	N2	B4	H10	121.396
N2	B6	H12	121.396	N3	B4	H10	121.396
N3	B5	H11	121.396	B4	N2	B6	122.792
B4	N2	H8	118.604	B4	N3	B5	122.792
B4	N3	H9	118.604	B5	N1	B6	122.792
B5	N1	H7	118.604	B5	N3	H9	118.604
B6	N1	H7	118.604	B6	N2	H8	118.604

All results from a given calculation for B₃N₃H₆ (borazine)

using model chemistry: B3PW91/6-31G*

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	-0.585
2	N	-0.585
3	N	-0.585
4	B	0.285
5	B	0.285
6	B	0.285
7	H	0.340
8	H	0.340
9	H	0.340
10	H	-0.040
11	H	-0.040
12	H	-0.040

<r²>	133.140
(<r²>)^1/2	11.539

All results from a given calculation for B3N3H6 (borazine)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for B₃N₃H₆ (borazine)