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	hartrees
Energy at 0K	-240.349355
Energy at 298.15K	-240.358869
Nuclear repulsion energy	194.469040

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3499	3363	0.00
2	A₁'	2636	2534	0.00
3	A₁'	954	917	0.00
4	A₁'	852	819	0.00
5	A₂'	1370	1317	0.00
6	A₂'	1192	1146	0.00
7	A₂'	1047	1006	0.00
8	A₂"	969	931	369.24
9	A₂"	744	715	45.53
10	A₂"	457	439	20.83
11	E'	3500	3364	31.35
11	E'	3500	3364	31.35
12	E'	2626	2524	256.87
12	E'	2626	2524	256.87
13	E'	1496	1437	378.07
13	E'	1496	1437	378.07
14	E'	1413	1358	100.33
14	E'	1413	1358	100.33
15	E'	1092	1049	0.00
15	E'	1092	1049	0.00
16	E'	937	901	1.30
16	E'	937	901	1.30
17	E'	527	507	0.48
17	E'	527	507	0.48
18	E"	920	885	0.00
18	E"	920	885	0.00
19	E"	782	752	0.00
19	E"	782	752	0.00
20	E"	300	288	0.00
20	E"	300	288	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.434
N2	1.242	-0.717
N3	-1.242	-0.717
B4	0.000	-1.479
B5	-1.281	0.739
B6	1.281	0.739
H7	0.000	2.454
H8	2.126	-1.227
H9	-2.126	-1.227
H10	0.000	-2.683
H11	-2.324	1.342
H12	2.324	1.342

	N1	N2	N3	B4	B5	B6	H7	H8	H9	H10	H11	H12
N1		2.4832	2.4832	2.9127	1.4569	1.4569	1.0208	3.4057	3.4057	4.1170	2.3256	2.3256
N2	2.4832		2.4832	1.4569	2.9127	1.4569	3.4057	1.0208	3.4057	2.3256	4.1169	2.3256
N3	2.4832	2.4832		1.4569	1.4569	2.9127	3.4057	3.4057	1.0208	2.3256	2.3256	4.1169
B4	2.9127	1.4569	1.4569		2.5617	2.5617	3.9335	2.1405	2.1405	1.2043	3.6546	3.6546
B5	1.4569	2.9127	1.4569	2.5617		2.5617	2.1405	3.9334	2.1405	3.6546	1.2043	3.6546
B6	1.4569	1.4569	2.9127	2.5617	2.5617		2.1405	2.1405	3.9334	3.6546	3.6546	1.2043
H7	1.0208	3.4057	3.4057	3.9335	2.1405	2.1405		4.2513	4.2513	5.1377	2.5765	2.5765
H8	3.4057	1.0208	3.4057	2.1405	3.9334	2.1405	4.2513		4.2513	2.5765	5.1377	2.5765
H9	3.4057	3.4057	1.0208	2.1405	2.1405	3.9334	4.2513	4.2513		2.5765	2.5765	5.1377
H10	4.1170	2.3256	2.3256	1.2043	3.6546	3.6546	5.1377	2.5765	2.5765		4.6476	4.6476
H11	2.3256	4.1169	2.3256	3.6546	1.2043	3.6546	2.5765	5.1377	2.5765	4.6476		4.6476
H12	2.3256	2.3256	4.1169	3.6546	3.6546	1.2043	2.5765	2.5765	5.1377	4.6476	4.6476

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B5	N3	116.914	N1	B5	H11	121.543
N1	B6	N2	116.914	N1	B6	H12	121.543
N2	B4	N3	116.913	N2	B4	H10	121.543
N2	B6	H12	121.543	N3	B4	H10	121.543
N3	B5	H11	121.543	B4	N2	B6	123.086
B4	N2	H8	118.457	B4	N3	B5	123.086
B4	N3	H9	118.457	B5	N1	B6	123.086
B5	N1	H7	118.457	B5	N3	H9	118.457
B6	N1	H7	118.457	B6	N2	H8	118.457

All results from a given calculation for B₃N₃H₆ (borazine)

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

States and conformations

All results from a given calculation for B₃N₃H₆ (borazine)