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	hartrees
Energy at 0K	-241.261481
Energy at 298.15K	-241.271122
Nuclear repulsion energy	198.928759

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3858	3505	0.00
2	A₁'	2690	2444	0.00
3	A₁'	1002	910	0.00
4	A₁'	910	826	0.00
5	A₂'	1426	1295	0.00
6	A₂'	1290	1172	0.00
7	A₂'	1124	1021	0.00
8	A₂"	1016	923	269.23
9	A₂"	761	691	78.52
10	A₂"	409	371	30.61
11	E'	3859	3506	58.63
11	E'	3859	3506	58.63
12	E'	2678	2433	372.79
12	E'	2678	2433	372.79
13	E'	1576	1432	624.29
13	E'	1576	1432	624.29
14	E'	1487	1351	118.68
14	E'	1487	1351	118.68
15	E'	1143	1038	5.23
15	E'	1143	1038	5.23
16	E'	987	897	0.08
16	E'	987	897	0.08
17	E'	557	506	0.19
17	E'	557	506	0.19
18	E"	1000	908	0.00
18	E"	1000	908	0.00
19	E"	742	675	0.00
19	E"	742	675	0.00
20	E"	296	268	0.00
20	E"	296	268	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.405
N2	1.217	-0.703
N3	-1.217	-0.703
B4	0.000	-1.441
B5	-1.248	0.720
B6	1.248	0.720
H7	0.000	2.396
H8	2.075	-1.198
H9	-2.075	-1.198
H10	0.000	-2.632
H11	-2.279	1.316
H12	2.279	1.316

	N1	N2	N3	B4	B5	B6	H7	H8	H9	H10	H11	H12
N1		2.4339	2.4339	2.8459	1.4233	1.4233	0.9911	3.3293	3.3293	4.0371	2.2810	2.2810
N2	2.4339		2.4339	1.4233	2.8458	1.4233	3.3293	0.9911	3.3293	2.2810	4.0371	2.2810
N3	2.4339	2.4339		1.4233	1.4233	2.8458	3.3293	3.3293	0.9911	2.2810	2.2810	4.0371
B4	2.8459	1.4233	1.4233		2.4953	2.4953	3.8370	2.0894	2.0894	1.1912	3.5769	3.5769
B5	1.4233	2.8458	1.4233	2.4953		2.4953	2.0894	3.8370	2.0894	3.5769	1.1912	3.5769
B6	1.4233	1.4233	2.8458	2.4953	2.4953		2.0894	2.0894	3.8370	3.5769	3.5769	1.1912
H7	0.9911	3.3293	3.3293	3.8370	2.0894	2.0894		4.1505	4.1505	5.0282	2.5224	2.5224
H8	3.3293	0.9911	3.3293	2.0894	3.8370	2.0894	4.1505		4.1505	2.5224	5.0282	2.5224
H9	3.3293	3.3293	0.9911	2.0894	2.0894	3.8370	4.1505	4.1505		2.5224	2.5224	5.0282
H10	4.0371	2.2810	2.2810	1.1912	3.5769	3.5769	5.0282	2.5224	2.5224		4.5585	4.5585
H11	2.2810	4.0371	2.2810	3.5769	1.1912	3.5769	2.5224	5.0282	2.5224	4.5585		4.5586
H12	2.2810	2.2810	4.0371	3.5769	3.5769	1.1912	2.5224	2.5224	5.0282	4.5585	4.5586

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B5	N3	117.526	N1	B5	H11	121.237
N1	B6	N2	117.526	N1	B6	H12	121.237
N2	B4	N3	117.526	N2	B4	H10	121.237
N2	B6	H12	121.237	N3	B4	H10	121.237
N3	B5	H11	121.237	B4	N2	B6	122.474
B4	N2	H8	118.763	B4	N3	B5	122.474
B4	N3	H9	118.763	B5	N1	B6	122.474
B5	N1	H7	118.763	B5	N3	H9	118.763
B6	N1	H7	118.763	B6	N2	H8	118.763

All results from a given calculation for B₃N₃H₆ (borazine)

using model chemistry: HF/aug-cc-pVQZ

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	-0.584
2	N	-0.584
3	N	-0.584
4	B	1.060
5	B	1.060
6	B	1.060
7	H	0.065
8	H	0.065
9	H	0.065
10	H	-0.541
11	H	-0.541
12	H	-0.541

<r²>	132.815
(<r²>)^1/2	11.525

All results from a given calculation for B3N3H6 (borazine)

using model chemistry: HF/aug-cc-pVQZ

States and conformations

All results from a given calculation for B₃N₃H₆ (borazine)