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	hartrees
Energy at 0K	-241.969606
Energy at 298.15K	-241.978973
Nuclear repulsion energy	196.728386

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3646	3533	0.00
2	A₁'	2661	2579	0.00
3	A₁'	933	905	0.00
4	A₁'	847	821	0.00
5	A₂'	1318	1278	0.00
6	A₂'	1239	1200	0.00
7	A₂'	1026	995	0.00
8	A₂"	923	895	179.56
9	A₂"	741	719	60.62
10	A₂"	397	385	25.49
11	E'	3649	3537	55.35
11	E'	3649	3537	55.35
12	E'	2651	2569	283.80
12	E'	2651	2569	283.80
13	E'	1478	1433	514.89
13	E'	1478	1433	514.89
14	E'	1383	1341	34.66
14	E'	1383	1341	34.66
15	E'	1069	1036	0.04
15	E'	1069	1036	0.04
16	E'	929	900	0.03
16	E'	929	900	0.03
17	E'	513	498	0.39
17	E'	513	498	0.39
18	E"	922	893	0.00
18	E"	922	893	0.00
19	E"	727	704	0.00
19	E"	727	704	0.00
20	E"	283	274	0.00
20	E"	283	274	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.415
N2	1.226	-0.708
N3	-1.226	-0.708
B4	0.000	-1.461
B5	-1.265	0.730
B6	1.265	0.730
H7	0.000	2.428
H8	2.103	-1.214
H9	-2.103	-1.214
H10	0.000	-2.662
H11	-2.306	1.331
H12	2.306	1.331

	N1	N2	N3	B4	B5	B6	H7	H8	H9	H10	H11	H12
N1		2.4511	2.4511	2.8759	1.4385	1.4385	1.0132	3.3668	3.3668	4.0776	2.3073	2.3073
N2	2.4511		2.4511	1.4385	2.8759	1.4385	3.3668	1.0132	3.3668	2.3073	4.0776	2.3073
N3	2.4511	2.4511		1.4385	1.4385	2.8759	3.3668	3.3668	1.0132	2.3073	2.3073	4.0776
B4	2.8759	1.4385	1.4385		2.5302	2.5302	3.8891	2.1174	2.1174	1.2016	3.6210	3.6210
B5	1.4385	2.8759	1.4385	2.5302		2.5302	2.1174	3.8891	2.1174	3.6210	1.2016	3.6210
B6	1.4385	1.4385	2.8759	2.5302	2.5302		2.1174	2.1174	3.8891	3.6210	3.6210	1.2016
H7	1.0132	3.3668	3.3668	3.8891	2.1174	2.1174		4.2059	4.2059	5.0907	2.5534	2.5534
H8	3.3668	1.0132	3.3668	2.1174	3.8891	2.1174	4.2059		4.2059	2.5534	5.0907	2.5534
H9	3.3668	3.3668	1.0132	2.1174	2.1174	3.8891	4.2059	4.2059		2.5534	2.5534	5.0907
H10	4.0776	2.3073	2.3073	1.2016	3.6210	3.6210	5.0907	2.5534	2.5534		4.6115	4.6115
H11	2.3073	4.0776	2.3073	3.6210	1.2016	3.6210	2.5534	5.0907	2.5534	4.6115		4.6115
H12	2.3073	2.3073	4.0776	3.6210	3.6210	1.2016	2.5534	2.5534	5.0907	4.6115	4.6115

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B5	N3	116.848	N1	B5	H11	121.576
N1	B6	N2	116.848	N1	B6	H12	121.576
N2	B4	N3	116.848	N2	B4	H10	121.576
N2	B6	H12	121.576	N3	B4	H10	121.576
N3	B5	H11	121.576	B4	N2	B6	123.152
B4	N2	H8	118.424	B4	N3	B5	123.152
B4	N3	H9	118.424	B5	N1	B6	123.152
B5	N1	H7	118.424	B5	N3	H9	118.424
B6	N1	H7	118.424	B6	N2	H8	118.424

All results from a given calculation for B₃N₃H₆ (borazine)

using model chemistry: MP2=FULL/aug-cc-pVDZ

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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All results from a given calculation for B3N3H6 (borazine)

using model chemistry: MP2=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for B₃N₃H₆ (borazine)