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	hartrees
Energy at 0K	-240.336741
Energy at 298.15K	-240.346301
Nuclear repulsion energy	194.862329

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3524	3371	0.00
2	A₁'	2644	2529	0.00
3	A₁'	964	922	0.00
4	A₁'	861	824	0.00
5	A₂'	1379	1319	0.00
6	A₂'	1202	1150	0.00
7	A₂'	1053	1007	0.00
8	A₂"	981	938	383.97
9	A₂"	753	720	47.22
10	A₂"	459	439	22.55
11	E'	3525	3372	32.26
11	E'	3525	3372	32.26
12	E'	2634	2519	262.86
12	E'	2634	2519	262.86
13	E'	1511	1446	445.68
13	E'	1511	1446	445.68
14	E'	1429	1367	95.85
14	E'	1429	1367	95.85
15	E'	1098	1051	0.20
15	E'	1098	1051	0.20
16	E'	946	905	1.38
16	E'	946	905	1.38
17	E'	532	509	0.47
17	E'	532	509	0.47
18	E"	934	893	0.00
18	E"	934	893	0.00
19	E"	788	754	0.00
19	E"	788	754	0.00
20	E"	303	289	0.00
20	E"	303	289	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	-1.474
B5	-1.277	0.737
B6	1.277	0.737
H7	0.000	2.451
H8	2.122	-1.225
H9	-2.122	-1.225
H10	0.000	-2.679
H11	-2.320	1.339
H12	2.320	1.339

	N1	N2	N3	B4	B5	B6	H7	H8	H9	H10	H11	H12
N1		2.4796	2.4796	2.9060	1.4535	1.4535	1.0192	3.4006	3.4006	4.1101	2.3215	2.3215
N2	2.4796		2.4796	1.4535	2.9060	1.4535	3.4006	1.0192	3.4006	2.3215	4.1101	2.3215
N3	2.4796	2.4796		1.4535	1.4535	2.9060	3.4006	3.4006	1.0192	2.3215	2.3215	4.1101
B4	2.9060	1.4535	1.4535		2.5538	2.5538	3.9252	2.1370	2.1370	1.2041	3.6466	3.6466
B5	1.4535	2.9060	1.4535	2.5538		2.5538	2.1370	3.9252	2.1370	3.6466	1.2041	3.6466
B6	1.4535	1.4535	2.9060	2.5538	2.5538		2.1370	2.1370	3.9252	3.6466	3.6466	1.2041
H7	1.0192	3.4006	3.4006	3.9252	2.1370	2.1370		4.2449	4.2449	5.1293	2.5722	2.5722
H8	3.4006	1.0192	3.4006	2.1370	3.9252	2.1370	4.2449		4.2449	2.5722	5.1293	2.5722
H9	3.4006	3.4006	1.0192	2.1370	2.1370	3.9252	4.2449	4.2449		2.5722	2.5722	5.1293
H10	4.1101	2.3215	2.3215	1.2041	3.6466	3.6466	5.1293	2.5722	2.5722		4.6393	4.6393
H11	2.3215	4.1101	2.3215	3.6466	1.2041	3.6466	2.5722	5.1293	2.5722	4.6393		4.6393
H12	2.3215	2.3215	4.1101	3.6466	3.6466	1.2041	2.5722	2.5722	5.1293	4.6393	4.6393

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B5	N3	117.074	N1	B5	H11	121.463
N1	B6	N2	117.074	N1	B6	H12	121.463
N2	B4	N3	117.074	N2	B4	H10	121.463
N2	B6	H12	121.463	N3	B4	H10	121.463
N3	B5	H11	121.463	B4	N2	B6	122.926
B4	N2	H8	118.537	B4	N3	B5	122.926
B4	N3	H9	118.537	B5	N1	B6	122.926
B5	N1	H7	118.537	B5	N3	H9	118.537
B6	N1	H7	118.537	B6	N2	H8	118.537

All results from a given calculation for B₃N₃H₆ (borazine)

using model chemistry: CCD/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: CCD/3-21G*

States and conformations

All results from a given calculation for B₃N₃H₆ (borazine)