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	hartrees
Energy at 0K	-41.934517
Energy at 298.15K	-41.943778
Nuclear repulsion energy	98.888861

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3616	3492	0.00
2	A₁'	2624	2534	0.00
3	A₁'	929	897	0.00
4	A₁'	849	820	0.00
5	A₂'	1289	1245	0.00
6	A₂'	1228	1186	0.00
7	A₂'	1039	1003	0.00
8	A₂"	927	896	175.46
9	A₂"	721	696	89.69
10	A₂"	392	379	42.89
11	E'	3619	3495	33.16
11	E'	3619	3495	33.16
12	E'	2613	2523	323.22
12	E'	2613	2523	323.15
13	E'	1469	1419	573.31
13	E'	1469	1419	573.33
14	E'	1373	1326	12.09
14	E'	1373	1326	12.11
15	E'	1065	1029	0.01
15	E'	1065	1029	0.01
16	E'	933	901	0.07
16	E'	933	901	0.07
17	E'	514	497	0.57
17	E'	514	497	0.57
18	E"	925	894	0.00
18	E"	925	894	0.00
19	E"	694	671	0.00
19	E"	694	671	0.00
20	E"	285	276	0.00
20	E"	285	276	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.421
N2	1.231	-0.711
N3	-1.231	-0.711
B4	0.000	-1.463
B5	-1.267	0.732
B6	1.267	0.732
H7	0.000	2.439
H8	2.113	-1.220
H9	-2.113	-1.220
H10	0.000	-2.666
H11	-2.309	1.333
H12	2.309	1.333

	N1	N2	N3	B4	B5	B6	H7	H8	H9	H10	H11	H12
N1		2.4613	2.4613	2.8843	1.4426	1.4426	1.0184	3.3819	3.3819	4.0873	2.3107	2.3107
N2	2.4613		2.4613	1.4426	2.8843	1.4426	3.3819	1.0184	3.3819	2.3107	4.0873	2.3107
N3	2.4613	2.4613		1.4426	1.4426	2.8843	3.3819	3.3819	1.0184	2.3107	2.3107	4.0873
B4	2.8843	1.4426	1.4426		2.5344	2.5344	3.9027	2.1266	2.1266	1.2030	3.6264	3.6264
B5	1.4426	2.8843	1.4426	2.5344		2.5344	2.1266	3.9027	2.1266	3.6264	1.2030	3.6264
B6	1.4426	1.4426	2.8843	2.5344	2.5344		2.1266	2.1266	3.9027	3.6264	3.6264	1.2030
H7	1.0184	3.3819	3.3819	3.9027	2.1266	2.1266		4.2253	4.2253	5.1057	2.5604	2.5604
H8	3.3819	1.0184	3.3819	2.1266	3.9027	2.1266	4.2253		4.2253	2.5604	5.1057	2.5604
H9	3.3819	3.3819	1.0184	2.1266	2.1266	3.9027	4.2253	4.2253		2.5604	2.5604	5.1057
H10	4.0873	2.3107	2.3107	1.2030	3.6264	3.6264	5.1057	2.5604	2.5604		4.6180	4.6180
H11	2.3107	4.0873	2.3107	3.6264	1.2030	3.6264	2.5604	5.1057	2.5604	4.6180		4.6180
H12	2.3107	2.3107	4.0873	3.6264	3.6264	1.2030	2.5604	2.5604	5.1057	4.6180	4.6180

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B5	N3	117.099	N1	B5	H11	121.450
N1	B6	N2	117.099	N1	B6	H12	121.450
N2	B4	N3	117.099	N2	B4	H10	121.450
N2	B6	H12	121.450	N3	B4	H10	121.450
N3	B5	H11	121.450	B4	N2	B6	122.901
B4	N2	H8	118.550	B4	N3	B5	122.901
B4	N3	H9	118.550	B5	N1	B6	122.901
B5	N1	H7	118.550	B5	N3	H9	118.550
B6	N1	H7	118.550	B6	N2	H8	118.550

All results from a given calculation for B₃N₃H₆ (borazine)

using model chemistry: B3LYP/CEP-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	-0.121
2	N	-0.121
3	N	-0.121
4	B	-0.331
5	B	-0.331
6	B	-0.331
7	H	0.304
8	H	0.304
9	H	0.304
10	H	0.148
11	H	0.148
12	H	0.148

<r²>	110.332
(<r²>)^1/2	10.504

All results from a given calculation for B3N3H6 (borazine)

using model chemistry: B3LYP/CEP-31G*

States and conformations

All results from a given calculation for B₃N₃H₆ (borazine)