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	hartrees
Energy at 0K	-242.576533
Energy at 298.15K	-242.585882
Nuclear repulsion energy	197.935448

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3671	3518	0.00
2	A₁'	2643	2533	0.00
3	A₁'	945	905	0.00
4	A₁'	863	827	0.00
5	A₂'	1311	1257	0.00
6	A₂'	1256	1204	0.00
7	A₂'	1046	1002	0.00
8	A₂"	932	893	239.33
9	A₂"	731	701	62.02
10	A₂"	400	384	25.57
11	E'	3672	3520	48.54
11	E'	3672	3520	48.54
12	E'	2632	2523	288.19
12	E'	2632	2523	288.18
13	E'	1498	1436	498.71
13	E'	1498	1436	498.71
14	E'	1398	1340	5.16
14	E'	1398	1340	5.16
15	E'	1079	1034	0.54
15	E'	1079	1034	0.54
16	E'	945	906	0.01
16	E'	945	906	0.01
17	E'	520	498	0.56
17	E'	520	498	0.56
18	E"	922	884	0.00
18	E"	922	884	0.00
19	E"	710	680	0.00
19	E"	710	680	0.00
20	E"	285	273	0.00
20	E"	285	273	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.408
N2	1.220	-0.704
N3	-1.220	-0.704
B4	0.000	-1.449
B5	-1.254	0.724
B6	1.254	0.724
H7	0.000	2.417
H8	2.093	-1.208
H9	-2.093	-1.208
H10	0.000	-2.646
H11	-2.292	1.323
H12	2.292	1.323

	N1	N2	N3	B4	B5	B6	H7	H8	H9	H10	H11	H12
N1		2.4392	2.4392	2.8568	1.4288	1.4288	1.0086	3.3508	3.3508	4.0548	2.2935	2.2935
N2	2.4392		2.4392	1.4288	2.8568	1.4288	3.3508	1.0086	3.3508	2.2935	4.0548	2.2935
N3	2.4392	2.4392		1.4288	1.4288	2.8568	3.3508	3.3508	1.0086	2.2935	2.2935	4.0548
B4	2.8568	1.4288	1.4288		2.5089	2.5089	3.8654	2.1068	2.1068	1.1980	3.5966	3.5966
B5	1.4288	2.8568	1.4288	2.5089		2.5089	2.1068	3.8654	2.1068	3.5966	1.1980	3.5966
B6	1.4288	1.4288	2.8568	2.5089	2.5089		2.1068	2.1068	3.8654	3.5966	3.5966	1.1980
H7	1.0086	3.3508	3.3508	3.8654	2.1068	2.1068		4.1861	4.1861	5.0633	2.5395	2.5395
H8	3.3508	1.0086	3.3508	2.1068	3.8654	2.1068	4.1861		4.1861	2.5395	5.0633	2.5395
H9	3.3508	3.3508	1.0086	2.1068	2.1068	3.8654	4.1861	4.1861		2.5395	2.5395	5.0633
H10	4.0548	2.2935	2.2935	1.1980	3.5966	3.5966	5.0633	2.5395	2.5395		4.5839	4.5839
H11	2.2935	4.0548	2.2935	3.5966	1.1980	3.5966	2.5395	5.0633	2.5395	4.5839		4.5839
H12	2.2935	2.2935	4.0548	3.5966	3.5966	1.1980	2.5395	2.5395	5.0633	4.5839	4.5839

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B5	N3	117.205	N1	B5	H11	121.397
N1	B6	N2	117.205	N1	B6	H12	121.397
N2	B4	N3	117.205	N2	B4	H10	121.397
N2	B6	H12	121.397	N3	B4	H10	121.397
N3	B5	H11	121.397	B4	N2	B6	122.795
B4	N2	H8	118.603	B4	N3	B5	122.795
B4	N3	H9	118.603	B5	N1	B6	122.795
B5	N1	H7	118.603	B5	N3	H9	118.603
B6	N1	H7	118.603	B6	N2	H8	118.603

All results from a given calculation for B₃N₃H₆ (borazine)

using model chemistry: B3PW91/6-31G**

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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Number	Element	Mulliken
1	N	-0.511
2	N	-0.511
3	N	-0.511
4	B	0.310
5	B	0.310
6	B	0.310
7	H	0.274
8	H	0.274
9	H	0.274
10	H	-0.073
11	H	-0.073
12	H	-0.073

<r²>	133.022
(<r²>)^1/2	11.533

All results from a given calculation for B3N3H6 (borazine)

using model chemistry: B3PW91/6-31G**

States and conformations

All results from a given calculation for B₃N₃H₆ (borazine)