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	hartrees
Energy at 0K	-242.013585
Energy at 298.15K	-242.022352
HF Energy	-241.234339
Nuclear repulsion energy	197.579253

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3667	3476	0.00
2	A₁'	2692	2552	0.00
3	A₁'	947	898	0.00
4	A₁'	866	821	0.00
5	A₂'	1324	1255	0.00
6	A₂'	1248	1183	0.00
7	A₂'	1052	997	0.00
8	A₂"	866	821	168.16
9	A₂"	703	667	75.95
10	A₂"	138	131	67.55
11	E'	3670	3479	60.87
11	E'	3670	3479	60.87
12	E'	2683	2543	293.55
12	E'	2683	2543	293.55
13	E'	1501	1423	561.57
13	E'	1501	1423	561.57
14	E'	1405	1332	11.71
14	E'	1405	1332	11.71
15	E'	1085	1028	0.01
15	E'	1085	1028	0.01
16	E'	953	903	0.03
16	E'	953	903	0.03
17	E'	522	495	0.34
17	E'	522	495	0.34
18	E"	902	855	0.00
18	E"	902	855	0.00
19	E"	623	591	0.00
19	E"	623	591	0.00
20	E"	224	213	0.00
20	E"	224	213	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.411
N2	1.222	-0.706
N3	-1.222	-0.706
B4	0.000	-1.453
B5	-1.258	0.727
B6	1.258	0.727
H7	0.000	2.420
H8	2.095	-1.210
H9	-2.095	-1.210
H10	0.000	-2.645
H11	-2.290	1.322
H12	2.290	1.322

	N1	N2	N3	B4	B5	B6	H7	H8	H9	H10	H11	H12
N1		2.4445	2.4445	2.8644	1.4326	1.4326	1.0082	3.3557	3.3557	4.0559	2.2920	2.2920
N2	2.4445		2.4445	1.4326	2.8644	1.4326	3.3557	1.0082	3.3557	2.2920	4.0559	2.2920
N3	2.4445	2.4445		1.4326	1.4326	2.8644	3.3557	3.3557	1.0082	2.2920	2.2920	4.0559
B4	2.8644	1.4326	1.4326		2.5167	2.5167	3.8726	2.1094	2.1094	1.1915	3.5983	3.5983
B5	1.4326	2.8644	1.4326	2.5167		2.5167	2.1094	3.8726	2.1094	3.5983	1.1915	3.5983
B6	1.4326	1.4326	2.8644	2.5167	2.5167		2.1094	2.1094	3.8726	3.5983	3.5983	1.1915
H7	1.0082	3.3557	3.3557	3.8726	2.1094	2.1094		4.1907	4.1907	5.0641	2.5395	2.5395
H8	3.3557	1.0082	3.3557	2.1094	3.8726	2.1094	4.1907		4.1907	2.5395	5.0641	2.5395
H9	3.3557	3.3557	1.0082	2.1094	2.1094	3.8726	4.1907	4.1907		2.5395	2.5395	5.0641
H10	4.0559	2.2920	2.2920	1.1915	3.5983	3.5983	5.0641	2.5395	2.5395		4.5805	4.5805
H11	2.2920	4.0559	2.2920	3.5983	1.1915	3.5983	2.5395	5.0641	2.5395	4.5805		4.5805
H12	2.2920	2.2920	4.0559	3.5983	3.5983	1.1915	2.5395	2.5395	5.0641	4.5805	4.5805

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B5	N3	117.110	N1	B5	H11	121.445
N1	B6	N2	117.110	N1	B6	H12	121.445
N2	B4	N3	117.110	N2	B4	H10	121.445
N2	B6	H12	121.445	N3	B4	H10	121.445
N3	B5	H11	121.445	B4	N2	B6	122.891
B4	N2	H8	118.555	B4	N3	B5	122.891
B4	N3	H9	118.555	B5	N1	B6	122.890
B5	N1	H7	118.555	B5	N3	H9	118.555
B6	N1	H7	118.555	B6	N2	H8	118.555

All results from a given calculation for B₃N₃H₆ (borazine)

using model chemistry: MP2/TZVP

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: MP2/TZVP

States and conformations

All results from a given calculation for B₃N₃H₆ (borazine)