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	hartrees
Energy at 0K	-238.219558
Energy at 298.15K	-238.228802
Nuclear repulsion energy	198.102939

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3726	3336	0.00
2	A₁'	3044	2726	0.00
3	A₁'	1009	904	0.00
4	A₁'	907	812	0.00
5	A₂'	1382	1238	0.00
6	A₂'	1345	1204	0.00
7	A₂'	1110	994	0.00
8	A₂"	992	889	262.16
9	A₂"	763	683	16.84
10	A₂"	480	429	21.71
11	E'	3726	3337	40.06
11	E'	3726	3337	40.06
12	E'	3042	2724	16.00
12	E'	3042	2724	16.00
13	E'	1601	1434	288.95
13	E'	1601	1434	288.95
14	E'	1503	1346	8.87
14	E'	1503	1346	8.87
15	E'	1153	1033	2.93
15	E'	1153	1033	2.93
16	E'	1014	908	0.95
16	E'	1014	908	0.95
17	E'	547	490	1.61
17	E'	547	490	1.61
18	E"	966	865	0.00
18	E"	966	865	0.00
19	E"	794	711	0.00
19	E"	794	711	0.00
20	E"	320	287	0.00
20	E"	320	287	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.399
N2	1.212	-0.700
N3	-1.212	-0.700
B4	0.000	-1.451
B5	-1.256	0.725
B6	1.256	0.725
H7	0.000	2.445
H8	2.117	-1.222
H9	-2.117	-1.222
H10	0.000	-2.623
H11	-2.271	1.311
H12	2.271	1.311

	N1	N2	N3	B4	B5	B6	H7	H8	H9	H10	H11	H12
N1		2.4234	2.4234	2.8499	1.4256	1.4256	1.0453	3.3695	3.3695	4.0217	2.2729	2.2729
N2	2.4234		2.4234	1.4256	2.8499	1.4256	3.3695	1.0453	3.3695	2.2729	4.0217	2.2729
N3	2.4234	2.4234		1.4256	1.4256	2.8499	3.3695	3.3695	1.0453	2.2729	2.2729	4.0217
B4	2.8499	1.4256	1.4256		2.5127	2.5127	3.8952	2.1293	2.1293	1.1718	3.5759	3.5759
B5	1.4256	2.8499	1.4256	2.5127		2.5127	2.1293	3.8952	2.1293	3.5759	1.1718	3.5759
B6	1.4256	1.4256	2.8499	2.5127	2.5127		2.1293	2.1293	3.8952	3.5759	3.5759	1.1718
H7	1.0453	3.3695	3.3695	3.8952	2.1293	2.1293		4.2340	4.2340	5.0671	2.5382	2.5382
H8	3.3695	1.0453	3.3695	2.1293	3.8952	2.1293	4.2340		4.2340	2.5382	5.0671	2.5382
H9	3.3695	3.3695	1.0453	2.1293	2.1293	3.8952	4.2340	4.2340		2.5382	2.5382	5.0671
H10	4.0217	2.2729	2.2729	1.1718	3.5759	3.5759	5.0671	2.5382	2.5382		4.5424	4.5424
H11	2.2729	4.0217	2.2729	3.5759	1.1718	3.5759	2.5382	5.0671	2.5382	4.5424		4.5424
H12	2.2729	2.2729	4.0217	3.5759	3.5759	1.1718	2.5382	2.5382	5.0671	4.5424	4.5424

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B5	N3	116.411	N1	B5	H11	121.794
N1	B6	N2	116.411	N1	B6	H12	121.794
N2	B4	N3	116.411	N2	B4	H10	121.794
N2	B6	H12	121.794	N3	B4	H10	121.794
N3	B5	H11	121.794	B4	N2	B6	123.589
B4	N2	H8	118.206	B4	N3	B5	123.589
B4	N3	H9	118.206	B5	N1	B6	123.589
B5	N1	H7	118.206	B5	N3	H9	118.206
B6	N1	H7	118.206	B6	N2	H8	118.206

All results from a given calculation for B₃N₃H₆ (borazine)

using model chemistry: LSDA/STO-3G

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	-0.398
2	N	-0.398
3	N	-0.398
4	B	0.217
5	B	0.217
6	B	0.217
7	H	0.218
8	H	0.218
9	H	0.218
10	H	-0.037
11	H	-0.037
12	H	-0.037

<r²>	130.709
(<r²>)^1/2	11.433

All results from a given calculation for B3N3H6 (borazine)

using model chemistry: LSDA/STO-3G

States and conformations

All results from a given calculation for B₃N₃H₆ (borazine)