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	hartrees
Energy at 0K	-242.405286
Energy at 298.15K	-242.414646
HF Energy	-242.405286
Nuclear repulsion energy	197.924588

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3686	3520	0.00
2	A₁'	2642	2523	0.00
3	A₁'	945	902	0.00
4	A₁'	864	825	0.00
5	A₂'	1315	1256	0.00
6	A₂'	1260	1203	0.00
7	A₂'	1040	993	0.00
8	A₂"	930	888	217.19
9	A₂"	729	696	69.68
10	A₂"	401	383	28.62
11	E'	3688	3522	57.03
11	E'	3688	3522	57.03
12	E'	2633	2514	304.69
12	E'	2633	2514	304.62
13	E'	1497	1429	555.70
13	E'	1497	1429	555.67
14	E'	1396	1333	15.38
14	E'	1396	1333	15.37
15	E'	1079	1030	0.41
15	E'	1079	1030	0.41
16	E'	942	899	0.01
16	E'	942	899	0.01
17	E'	520	496	0.33
17	E'	520	496	0.33
18	E"	920	878	0.00
18	E"	920	878	0.00
19	E"	715	683	0.00
19	E"	715	683	0.00
20	E"	286	273	0.00
20	E"	286	273	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	-1.449
B5	-1.255	0.725
B6	1.255	0.725
H7	0.000	2.416
H8	2.092	-1.208
H9	-2.092	-1.208
H10	0.000	-2.647
H11	-2.292	1.324
H12	2.292	1.324

	N1	N2	N3	B4	B5	B6	H7	H8	H9	H10	H11	H12
N1		2.4385	2.4385	2.8572	1.4291	1.4291	1.0082	3.3499	3.3499	4.0550	2.2940	2.2940
N2	2.4385		2.4385	1.4291	2.8572	1.4291	3.3499	1.0082	3.3499	2.2940	4.0550	2.2940
N3	2.4385	2.4385		1.4291	1.4291	2.8572	3.3499	3.3499	1.0082	2.2940	2.2940	4.0550
B4	2.8572	1.4291	1.4291		2.5103	2.5103	3.8655	2.1063	2.1063	1.1978	3.5978	3.5978
B5	1.4291	2.8572	1.4291	2.5103		2.5103	2.1063	3.8655	2.1063	3.5978	1.1978	3.5978
B6	1.4291	1.4291	2.8572	2.5103	2.5103		2.1063	2.1063	3.8655	3.5978	3.5978	1.1978
H7	1.0082	3.3499	3.3499	3.8655	2.1063	2.1063		4.1849	4.1849	5.0633	2.5395	2.5395
H8	3.3499	1.0082	3.3499	2.1063	3.8655	2.1063	4.1849		4.1849	2.5395	5.0633	2.5395
H9	3.3499	3.3499	1.0082	2.1063	2.1063	3.8655	4.1849	4.1849		2.5395	2.5395	5.0633
H10	4.0550	2.2940	2.2940	1.1978	3.5978	3.5978	5.0633	2.5395	2.5395		4.5849	4.5849
H11	2.2940	4.0550	2.2940	3.5978	1.1978	3.5978	2.5395	5.0633	2.5395	4.5849		4.5849
H12	2.2940	2.2940	4.0550	3.5978	3.5978	1.1978	2.5395	2.5395	5.0633	4.5849	4.5849

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B5	N3	117.123	N1	B5	H11	121.438
N1	B6	N2	117.123	N1	B6	H12	121.438
N2	B4	N3	117.123	N2	B4	H10	121.438
N2	B6	H12	121.438	N3	B4	H10	121.438
N3	B5	H11	121.438	B4	N2	B6	122.877
B4	N2	H8	118.562	B4	N3	B5	122.877
B4	N3	H9	118.562	B5	N1	B6	122.877
B5	N1	H7	118.562	B5	N3	H9	118.562
B6	N1	H7	118.562	B6	N2	H8	118.562

All results from a given calculation for B₃N₃H₆ (borazine)

using model chemistry: HSEh1PBE/6-31+G**

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	-0.817
2	N	-0.817
3	N	-0.817
4	B	0.534
5	B	0.534
6	B	0.534
7	H	0.328
8	H	0.328
9	H	0.328
10	H	-0.046
11	H	-0.046
12	H	-0.046

<r²>	133.745
(<r²>)^1/2	11.565

All results from a given calculation for B3N3H6 (borazine)

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

All results from a given calculation for B₃N₃H₆ (borazine)