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	hartrees
Energy at 0K	-239.474177
Energy at 298.15K	-239.483297
Nuclear repulsion energy	195.673845

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3610	3340	0.00
2	A₁'	2980	2757	0.00
3	A₁'	979	906	0.00
4	A₁'	890	824	0.00
5	A₂'	1385	1281	0.00
6	A₂'	1253	1160	0.00
7	A₂'	1114	1030	0.00
8	A₂"	964	892	269.35
9	A₂"	751	695	12.19
10	A₂"	457	423	19.73
11	E'	3611	3341	10.99
11	E'	3611	3341	10.99
12	E'	2977	2755	32.80
12	E'	2977	2755	32.81
13	E'	1550	1434	322.46
13	E'	1550	1434	322.48
14	E'	1485	1374	4.49
14	E'	1485	1374	4.49
15	E'	1140	1055	0.52
15	E'	1140	1055	0.52
16	E'	990	916	1.52
16	E'	990	916	1.52
17	E'	544	503	1.46
17	E'	544	503	1.46
18	E"	950	879	0.00
18	E"	950	879	0.00
19	E"	766	708	0.00
19	E"	766	708	0.00
20	E"	312	289	0.00
20	E"	312	289	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.416
N2	1.227	-0.708
N3	-1.227	-0.708
B4	0.000	-1.472
B5	-1.275	0.736
B6	1.275	0.736
H7	0.000	2.469
H8	2.139	-1.235
H9	-2.139	-1.235
H10	0.000	-2.650
H11	-2.295	1.325
H12	2.295	1.325

	N1	N2	N3	B4	B5	B6	H7	H8	H9	H10	H11	H12
N1		2.4533	2.4533	2.8887	1.4452	1.4452	1.0529	3.4061	3.4061	4.0665	2.2969	2.2969
N2	2.4533		2.4533	1.4452	2.8887	1.4452	3.4061	1.0529	3.4061	2.2969	4.0665	2.2969
N3	2.4533	2.4533		1.4452	1.4452	2.8887	3.4061	3.4061	1.0529	2.2969	2.2969	4.0665
B4	2.8887	1.4452	1.4452		2.5501	2.5501	3.9416	2.1517	2.1517	1.1778	3.6184	3.6184
B5	1.4452	2.8887	1.4452	2.5501		2.5501	2.1517	3.9416	2.1517	3.6184	1.1778	3.6184
B6	1.4452	1.4452	2.8887	2.5501	2.5501		2.1517	2.1517	3.9416	3.6184	3.6184	1.1778
H7	1.0529	3.4061	3.4061	3.9416	2.1517	2.1517		4.2770	4.2770	5.1195	2.5645	2.5645
H8	3.4061	1.0529	3.4061	2.1517	3.9416	2.1517	4.2770		4.2770	2.5645	5.1195	2.5645
H9	3.4061	3.4061	1.0529	2.1517	2.1517	3.9416	4.2770	4.2770		2.5645	2.5645	5.1195
H10	4.0665	2.2969	2.2969	1.1778	3.6184	3.6184	5.1195	2.5645	2.5645		4.5902	4.5902
H11	2.2969	4.0665	2.2969	3.6184	1.1778	3.6184	2.5645	5.1195	2.5645	4.5902		4.5902
H12	2.2969	2.2969	4.0665	3.6184	3.6184	1.1778	2.5645	2.5645	5.1195	4.5902	4.5902

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B5	N3	116.160	N1	B5	H11	121.920
N1	B6	N2	116.160	N1	B6	H12	121.920
N2	B4	N3	116.160	N2	B4	H10	121.920
N2	B6	H12	121.920	N3	B4	H10	121.920
N3	B5	H11	121.920	B4	N2	B6	123.840
B4	N2	H8	118.080	B4	N3	B5	123.840
B4	N3	H9	118.080	B5	N1	B6	123.840
B5	N1	H7	118.080	B5	N3	H9	118.080
B6	N1	H7	118.080	B6	N2	H8	118.080

All results from a given calculation for B₃N₃H₆ (borazine)

using model chemistry: BLYP/STO-3G

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	-0.413
2	N	-0.413
3	N	-0.413
4	B	0.286
5	B	0.286
6	B	0.286
7	H	0.194
8	H	0.194
9	H	0.194
10	H	-0.068
11	H	-0.068
12	H	-0.068

<r²>	133.939
(<r²>)^1/2	11.573

All results from a given calculation for B3N3H6 (borazine)

using model chemistry: BLYP/STO-3G

States and conformations

All results from a given calculation for B₃N₃H₆ (borazine)