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	hartrees
Energy at 0K	-240.314539
Energy at 298.15K	-240.324092
Nuclear repulsion energy	194.816473

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3537	3353	0.00
2	A₁'	2690	2550	0.00
3	A₁'	958	908	0.00
4	A₁'	855	810	0.00
5	A₂'	1376	1305	0.00
6	A₂'	1202	1140	0.00
7	A₂'	1063	1007	0.00
8	A₂"	982	931	370.56
9	A₂"	754	715	49.79
10	A₂"	458	434	22.40
11	E'	3539	3355	44.66
11	E'	3539	3355	44.66
12	E'	2679	2539	282.93
12	E'	2679	2539	282.93
13	E'	1502	1424	419.47
13	E'	1502	1424	419.47
14	E'	1426	1352	94.23
14	E'	1426	1352	94.23
15	E'	1103	1046	0.05
15	E'	1103	1046	0.05
16	E'	948	899	1.20
16	E'	948	899	1.20
17	E'	529	502	0.56
17	E'	529	502	0.56
18	E"	939	891	0.00
18	E"	939	891	0.00
19	E"	788	747	0.00
19	E"	788	747	0.00
20	E"	301	285	0.00
20	E"	301	285	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.432
N2	1.240	-0.716
N3	-1.240	-0.716
B4	0.000	-1.476
B5	-1.278	0.738
B6	1.278	0.738
H7	0.000	2.451
H8	2.123	-1.226
H9	-2.123	-1.226
H10	0.000	-2.675
H11	-2.316	1.337
H12	2.316	1.337

	N1	N2	N3	B4	B5	B6	H7	H8	H9	H10	H11	H12
N1		2.4809	2.4809	2.9080	1.4545	1.4545	1.0189	3.4016	3.4016	4.1069	2.3182	2.3182
N2	2.4809		2.4809	1.4545	2.9080	1.4545	3.4016	1.0189	3.4016	2.3182	4.1069	2.3182
N3	2.4809	2.4809		1.4545	1.4545	2.9080	3.4016	3.4016	1.0189	2.3182	2.3182	4.1069
B4	2.9080	1.4545	1.4545		2.5558	2.5558	3.9269	2.1375	2.1375	1.1990	3.6438	3.6438
B5	1.4545	2.9080	1.4545	2.5558		2.5558	2.1375	3.9269	2.1375	3.6438	1.1990	3.6438
B6	1.4545	1.4545	2.9080	2.5558	2.5558		2.1375	2.1375	3.9269	3.6438	3.6438	1.1990
H7	1.0189	3.4016	3.4016	3.9269	2.1375	2.1375		4.2457	4.2457	5.1258	2.5702	2.5702
H8	3.4016	1.0189	3.4016	2.1375	3.9269	2.1375	4.2457		4.2457	2.5702	5.1258	2.5702
H9	3.4016	3.4016	1.0189	2.1375	2.1375	3.9269	4.2457	4.2457		2.5702	2.5702	5.1258
H10	4.1069	2.3182	2.3182	1.1990	3.6438	3.6438	5.1258	2.5702	2.5702		4.6325	4.6325
H11	2.3182	4.1069	2.3182	3.6438	1.1990	3.6438	2.5702	5.1258	2.5702	4.6325		4.6325
H12	2.3182	2.3182	4.1069	3.6438	3.6438	1.1990	2.5702	2.5702	5.1258	4.6325	4.6325

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B5	N3	117.046	N1	B5	H11	121.477
N1	B6	N2	117.046	N1	B6	H12	121.477
N2	B4	N3	117.046	N2	B4	H10	121.477
N2	B6	H12	121.477	N3	B4	H10	121.477
N3	B5	H11	121.477	B4	N2	B6	122.954
B4	N2	H8	118.523	B4	N3	B5	122.954
B4	N3	H9	118.523	B5	N1	B6	122.954
B5	N1	H7	118.523	B5	N3	H9	118.523
B6	N1	H7	118.523	B6	N2	H8	118.523

All results from a given calculation for B₃N₃H₆ (borazine)

using model chemistry: MP2=FULL/3-21G*

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/3-21G*

States and conformations

All results from a given calculation for B₃N₃H₆ (borazine)