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	hartrees
Energy at 0K	-241.776929
Energy at 298.15K	-241.786419
Nuclear repulsion energy	198.276536

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3758	3479	0.00
2	A₁'	2731	2528	0.00
3	A₁'	983	910	0.00
4	A₁'	896	829	0.00
5	A₂'	1377	1275	0.00
6	A₂'	1289	1194	0.00
7	A₂'	1095	1014	0.00
8	A₂"	981	908	321.22
9	A₂"	759	703	77.77
10	A₂"	400	371	38.70
11	E'	3759	3480	52.86
11	E'	3759	3480	52.86
12	E'	2720	2518	319.13
12	E'	2720	2518	319.13
13	E'	1562	1446	619.22
13	E'	1562	1446	619.22
14	E'	1462	1354	20.37
14	E'	1462	1354	20.37
15	E'	1121	1038	0.07
15	E'	1121	1038	0.07
16	E'	980	908	0.10
16	E'	980	908	0.10
17	E'	539	499	0.28
17	E'	539	499	0.28
18	E"	967	895	0.00
18	E"	967	895	0.00
19	E"	734	680	0.00
19	E"	734	680	0.00
20	E"	289	268	0.00
20	E"	289	268	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.408
N2	1.219	-0.704
N3	-1.219	-0.704
B4	0.000	-1.445
B5	-1.252	0.723
B6	1.252	0.723
H7	0.000	2.412
H8	2.089	-1.206
H9	-2.089	-1.206
H10	0.000	-2.639
H11	-2.286	1.320
H12	2.286	1.320

	N1	N2	N3	B4	B5	B6	H7	H8	H9	H10	H11	H12
N1		2.4380	2.4380	2.8528	1.4268	1.4268	1.0043	3.3456	3.3456	4.0468	2.2874	2.2874
N2	2.4380		2.4380	1.4268	2.8528	1.4268	3.3456	1.0043	3.3456	2.2874	4.0468	2.2874
N3	2.4380	2.4380		1.4268	1.4268	2.8528	3.3456	3.3456	1.0043	2.2874	2.2874	4.0468
B4	2.8528	1.4268	1.4268		2.5032	2.5032	3.8570	2.1024	2.1024	1.1941	3.5873	3.5873
B5	1.4268	2.8528	1.4268	2.5032		2.5032	2.1024	3.8570	2.1024	3.5873	1.1941	3.5873
B6	1.4268	1.4268	2.8528	2.5032	2.5032		2.1024	2.1024	3.8570	3.5873	3.5873	1.1941
H7	1.0043	3.3456	3.3456	3.8570	2.1024	2.1024		4.1774	4.1774	5.0511	2.5332	2.5332
H8	3.3456	1.0043	3.3456	2.1024	3.8570	2.1024	4.1774		4.1774	2.5332	5.0511	2.5332
H9	3.3456	3.3456	1.0043	2.1024	2.1024	3.8570	4.1774	4.1774		2.5332	2.5332	5.0511
H10	4.0468	2.2874	2.2874	1.1941	3.5873	3.5873	5.0511	2.5332	2.5332		4.5714	4.5714
H11	2.2874	4.0468	2.2874	3.5873	1.1941	3.5873	2.5332	5.0511	2.5332	4.5714		4.5714
H12	2.2874	2.2874	4.0468	3.5873	3.5873	1.1941	2.5332	2.5332	5.0511	4.5714	4.5714

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B5	N3	117.382	N1	B5	H11	121.309
N1	B6	N2	117.382	N1	B6	H12	121.309
N2	B4	N3	117.382	N2	B4	H10	121.309
N2	B6	H12	121.309	N3	B4	H10	121.309
N3	B5	H11	121.309	B4	N2	B6	122.618
B4	N2	H8	118.691	B4	N3	B5	122.618
B4	N3	H9	118.691	B5	N1	B6	122.618
B5	N1	H7	118.691	B5	N3	H9	118.691
B6	N1	H7	118.691	B6	N2	H8	118.691

All results from a given calculation for B₃N₃H₆ (borazine)

using model chemistry: CISD/6-31G*

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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All results from a given calculation for B3N3H6 (borazine)

using model chemistry: CISD/6-31G*

States and conformations

All results from a given calculation for B₃N₃H₆ (borazine)