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	hartrees
Energy at 0K	-241.958930
Energy at 298.15K	-241.968315
Nuclear repulsion energy	196.624330

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3666	3517	0.00
2	A₁'	2644	2537	0.00
3	A₁'	948	910	0.00
4	A₁'	862	827	0.00
5	A₂'	1324	1270	0.00
6	A₂'	1241	1190	0.00
7	A₂'	1047	1005	0.00
8	A₂"	929	891	191.24
9	A₂"	737	707	58.34
10	A₂"	394	378	23.70
11	E'	3668	3519	48.62
11	E'	3668	3519	48.62
12	E'	2635	2528	298.22
12	E'	2635	2528	298.22
13	E'	1500	1439	489.09
13	E'	1500	1439	489.09
14	E'	1406	1349	16.37
14	E'	1406	1349	16.37
15	E'	1085	1041	0.13
15	E'	1085	1041	0.13
16	E'	942	904	0.25
16	E'	942	904	0.25
17	E'	524	503	0.49
17	E'	524	503	0.49
18	E"	930	892	0.00
18	E"	930	892	0.00
19	E"	707	679	0.00
19	E"	707	679	0.00
20	E"	286	274	0.00
20	E"	286	274	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.417
N2	1.227	-0.708
N3	-1.227	-0.708
B4	0.000	-1.459
B5	-1.263	0.729
B6	1.263	0.729
H7	0.000	2.431
H8	2.105	-1.216
H9	-2.105	-1.216
H10	0.000	-2.668
H11	-2.310	1.334
H12	2.310	1.334

	N1	N2	N3	B4	B5	B6	H7	H8	H9	H10	H11	H12
N1		2.4542	2.4542	2.8757	1.4383	1.4383	1.0142	3.3709	3.3709	4.0848	2.3119	2.3119
N2	2.4542		2.4542	1.4383	2.8757	1.4383	3.3709	1.0142	3.3709	2.3119	4.0848	2.3119
N3	2.4542	2.4542		1.4383	1.4383	2.8757	3.3709	3.3709	1.0142	2.3119	2.3119	4.0848
B4	2.8757	1.4383	1.4383		2.5266	2.5266	3.8898	2.1194	2.1194	1.2091	3.6245	3.6245
B5	1.4383	2.8757	1.4383	2.5266		2.5266	2.1194	3.8898	2.1194	3.6245	1.2091	3.6245
B6	1.4383	1.4383	2.8757	2.5266	2.5266		2.1194	2.1194	3.8898	3.6245	3.6245	1.2091
H7	1.0142	3.3709	3.3709	3.8898	2.1194	2.1194		4.2108	4.2108	5.0989	2.5577	2.5577
H8	3.3709	1.0142	3.3709	2.1194	3.8898	2.1194	4.2108		4.2108	2.5577	5.0989	2.5577
H9	3.3709	3.3709	1.0142	2.1194	2.1194	3.8898	4.2108	4.2108		2.5577	2.5577	5.0989
H10	4.0848	2.3119	2.3119	1.2091	3.6245	3.6245	5.0989	2.5577	2.5577		4.6208	4.6208
H11	2.3119	4.0848	2.3119	3.6245	1.2091	3.6245	2.5577	5.0989	2.5577	4.6208		4.6208
H12	2.3119	2.3119	4.0848	3.6245	3.6245	1.2091	2.5577	2.5577	5.0989	4.6208	4.6208

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B5	N3	117.117	N1	B5	H11	121.441
N1	B6	N2	117.117	N1	B6	H12	121.441
N2	B4	N3	117.117	N2	B4	H10	121.441
N2	B6	H12	121.441	N3	B4	H10	121.441
N3	B5	H11	121.441	B4	N2	B6	122.883
B4	N2	H8	118.559	B4	N3	B5	122.883
B4	N3	H9	118.559	B5	N1	B6	122.883
B5	N1	H7	118.559	B5	N3	H9	118.559
B6	N1	H7	118.559	B6	N2	H8	118.559

All results from a given calculation for B₃N₃H₆ (borazine)

using model chemistry: QCISD/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for B₃N₃H₆ (borazine)