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	hartrees
Energy at 0K	-241.501743
Energy at 298.15K	-241.511403
Nuclear repulsion energy	196.554615

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3716	3485	0.00
2	A₁'	2681	2514	0.00
3	A₁'	992	931	0.00
4	A₁'	877	823	0.00
5	A₂'	1421	1333	0.00
6	A₂'	1252	1174	0.00
7	A₂'	1095	1027	0.00
8	A₂"	1016	953	497.09
9	A₂"	763	715	51.14
10	A₂"	459	431	30.84
11	E'	3715	3484	33.41
11	E'	3715	3484	33.41
12	E'	2667	2501	329.75
12	E'	2667	2501	329.75
13	E'	1542	1446	458.98
13	E'	1542	1446	458.98
14	E'	1456	1365	164.74
14	E'	1456	1365	164.74
15	E'	1123	1053	1.24
15	E'	1123	1053	1.24
16	E'	959	899	0.32
16	E'	959	899	0.32
17	E'	548	514	0.11
17	E'	548	514	0.11
18	E"	960	900	0.00
18	E"	960	900	0.00
19	E"	806	756	0.00
19	E"	806	756	0.00
20	E"	304	285	0.00
20	E"	304	285	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.420
N2	1.230	-0.710
N3	-1.230	-0.710
B4	0.000	-1.461
B5	-1.265	0.730
B6	1.265	0.730
H7	0.000	2.427
H8	2.102	-1.214
H9	-2.102	-1.214
H10	0.000	-2.659
H11	-2.303	1.329
H12	2.303	1.329

	N1	N2	N3	B4	B5	B6	H7	H8	H9	H10	H11	H12
N1		2.4597	2.4597	2.8810	1.4410	1.4410	1.0070	3.3695	3.3695	4.0789	2.3044	2.3044
N2	2.4597		2.4597	1.4410	2.8810	1.4410	3.3695	1.0070	3.3695	2.3044	4.0789	2.3044
N3	2.4597	2.4597		1.4410	1.4410	2.8810	3.3695	3.3695	1.0070	2.3044	2.3044	4.0789
B4	2.8810	1.4410	1.4410		2.5305	2.5305	3.8880	2.1164	2.1164	1.1978	3.6177	3.6177
B5	1.4410	2.8810	1.4410	2.5305		2.5305	2.1164	3.8880	2.1164	3.6177	1.1978	3.6177
B6	1.4410	1.4410	2.8810	2.5305	2.5305		2.1164	2.1164	3.8880	3.6177	3.6177	1.1978
H7	1.0070	3.3695	3.3695	3.8880	2.1164	2.1164		4.2038	4.2038	5.0858	2.5508	2.5508
H8	3.3695	1.0070	3.3695	2.1164	3.8880	2.1164	4.2038		4.2038	2.5508	5.0858	2.5508
H9	3.3695	3.3695	1.0070	2.1164	2.1164	3.8880	4.2038	4.2038		2.5508	2.5508	5.0858
H10	4.0789	2.3044	2.3044	1.1978	3.6177	3.6177	5.0858	2.5508	2.5508		4.6052	4.6052
H11	2.3044	4.0789	2.3044	3.6177	1.1978	3.6177	2.5508	5.0858	2.5508	4.6052		4.6052
H12	2.3044	2.3044	4.0789	3.6177	3.6177	1.1978	2.5508	2.5508	5.0858	4.6052	4.6052

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B5	N3	117.185	N1	B5	H11	121.408
N1	B6	N2	117.185	N1	B6	H12	121.408
N2	B4	N3	117.185	N2	B4	H10	121.408
N2	B6	H12	121.408	N3	B4	H10	121.408
N3	B5	H11	121.408	B4	N2	B6	122.815
B4	N2	H8	118.592	B4	N3	B5	122.815
B4	N3	H9	118.592	B5	N1	B6	122.815
B5	N1	H7	118.592	B5	N3	H9	118.592
B6	N1	H7	118.592	B6	N2	H8	118.592

All results from a given calculation for B₃N₃H₆ (borazine)

using model chemistry: CISD/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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All results from a given calculation for B3N3H6 (borazine)

using model chemistry: CISD/6-31G

States and conformations

All results from a given calculation for B₃N₃H₆ (borazine)