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	hartrees
Energy at 0K	-242.698028
Energy at 298.15K	-242.707402
Nuclear repulsion energy	197.514494

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3641	3511	0.00
2	A₁'	2643	2549	0.00
3	A₁'	941	907	0.00
4	A₁'	861	830	0.00
5	A₂'	1313	1266	0.00
6	A₂'	1242	1197	0.00
7	A₂'	1046	1009	0.00
8	A₂"	933	900	211.22
9	A₂"	727	701	70.43
10	A₂"	407	392	27.10
11	E'	3643	3513	47.36
11	E'	3643	3513	47.36
12	E'	2634	2540	308.09
12	E'	2634	2540	308.09
13	E'	1483	1430	543.68
13	E'	1483	1430	543.70
14	E'	1392	1342	28.06
14	E'	1392	1342	28.05
15	E'	1078	1039	0.08
15	E'	1078	1039	0.08
16	E'	938	904	0.03
16	E'	938	904	0.03
17	E'	523	504	0.38
17	E'	523	504	0.38
18	E"	924	891	0.00
18	E"	924	891	0.00
19	E"	714	688	0.00
19	E"	714	688	0.00
20	E"	290	279	0.00
20	E"	290	279	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.411
N2	1.222	-0.705
N3	-1.222	-0.705
B4	0.000	-1.453
B5	-1.259	0.727
B6	1.259	0.727
H7	0.000	2.421
H8	2.097	-1.211
H9	-2.097	-1.211
H10	0.000	-2.648
H11	-2.293	1.324
H12	2.293	1.324

	N1	N2	N3	B4	B5	B6	H7	H8	H9	H10	H11	H12
N1		2.4437	2.4437	2.8643	1.4326	1.4326	1.0103	3.3568	3.3568	4.0591	2.2951	2.2951
N2	2.4437		2.4437	1.4326	2.8643	1.4326	3.3568	1.0103	3.3568	2.2951	4.0591	2.2951
N3	2.4437	2.4437		1.4326	1.4326	2.8643	3.3568	3.3568	1.0103	2.2951	2.2951	4.0591
B4	2.8643	1.4326	1.4326		2.5175	2.5175	3.8746	2.1108	2.1108	1.1948	3.6020	3.6020
B5	1.4326	2.8643	1.4326	2.5175		2.5175	2.1108	3.8746	2.1108	3.6020	1.1948	3.6020
B6	1.4326	1.4326	2.8643	2.5175	2.5175		2.1108	2.1108	3.8746	3.6020	3.6020	1.1948
H7	1.0103	3.3568	3.3568	3.8746	2.1108	2.1108		4.1936	4.1936	5.0694	2.5423	2.5423
H8	3.3568	1.0103	3.3568	2.1108	3.8746	2.1108	4.1936		4.1936	2.5423	5.0694	2.5423
H9	3.3568	3.3568	1.0103	2.1108	2.1108	3.8746	4.1936	4.1936		2.5423	2.5423	5.0694
H10	4.0591	2.2951	2.2951	1.1948	3.6020	3.6020	5.0694	2.5423	2.5423		4.5869	4.5869
H11	2.2951	4.0591	2.2951	3.6020	1.1948	3.6020	2.5423	5.0694	2.5423	4.5869		4.5869
H12	2.2951	2.2951	4.0591	3.6020	3.6020	1.1948	2.5423	2.5423	5.0694	4.5869	4.5869

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B5	N3	117.048	N1	B5	H11	121.476
N1	B6	N2	117.048	N1	B6	H12	121.476
N2	B4	N3	117.048	N2	B4	H10	121.476
N2	B6	H12	121.476	N3	B4	H10	121.476
N3	B5	H11	121.476	B4	N2	B6	122.952
B4	N2	H8	118.524	B4	N3	B5	122.952
B4	N3	H9	118.524	B5	N1	B6	122.952
B5	N1	H7	118.524	B5	N3	H9	118.524
B6	N1	H7	118.524	B6	N2	H8	118.524

All results from a given calculation for B₃N₃H₆ (borazine)

using model chemistry: B3LYP/6-31+G**

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	-0.822
2	N	-0.822
3	N	-0.822
4	B	0.578
5	B	0.578
6	B	0.578
7	H	0.307
8	H	0.307
9	H	0.307
10	H	-0.063
11	H	-0.063
12	H	-0.063

<r²>	134.414
(<r²>)^1/2	11.594

All results from a given calculation for B3N3H6 (borazine)

using model chemistry: B3LYP/6-31+G**

States and conformations

All results from a given calculation for B₃N₃H₆ (borazine)