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	hartrees
Energy at 0K	-242.631664
Energy at 298.15K	-242.641050
Nuclear repulsion energy	198.095053

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3652	3518	0.00
2	A₁'	2615	2519	0.00
3	A₁'	945	910	0.00
4	A₁'	863	831	0.00
5	A₂'	1318	1269	0.00
6	A₂'	1243	1197	0.00
7	A₂'	1040	1001	0.00
8	A₂"	930	895	201.83
9	A₂"	729	702	56.56
10	A₂"	403	388	25.57
11	E'	3654	3519	50.96
11	E'	3654	3519	50.96
12	E'	2605	2509	291.20
12	E'	2605	2509	291.20
13	E'	1489	1434	492.77
13	E'	1489	1434	492.77
14	E'	1397	1346	17.62
14	E'	1397	1346	17.62
15	E'	1079	1039	0.00
15	E'	1079	1039	0.00
16	E'	940	906	0.06
16	E'	940	906	0.06
17	E'	523	503	0.40
17	E'	523	503	0.40
18	E"	919	885	0.00
18	E"	919	885	0.00
19	E"	714	687	0.00
19	E"	714	687	0.00
20	E"	286	275	0.00
20	E"	286	275	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.407
N2	1.218	-0.703
N3	-1.218	-0.703
B4	0.000	-1.448
B5	-1.254	0.724
B6	1.254	0.724
H7	0.000	2.415
H8	2.091	-1.207
H9	-2.091	-1.207
H10	0.000	-2.644
H11	-2.289	1.322
H12	2.289	1.322

	N1	N2	N3	B4	B5	B6	H7	H8	H9	H10	H11	H12
N1		2.4369	2.4369	2.8548	1.4278	1.4278	1.0078	3.3479	3.3479	4.0506	2.2911	2.2911
N2	2.4369		2.4369	1.4278	2.8548	1.4278	3.3479	1.0078	3.3479	2.2911	4.0506	2.2911
N3	2.4369	2.4369		1.4278	1.4278	2.8548	3.3479	3.3479	1.0078	2.2911	2.2911	4.0506
B4	2.8548	1.4278	1.4278		2.5076	2.5076	3.8626	2.1050	2.1050	1.1959	3.5934	3.5934
B5	1.4278	2.8548	1.4278	2.5076		2.5076	2.1050	3.8626	2.1050	3.5934	1.1959	3.5934
B6	1.4278	1.4278	2.8548	2.5076	2.5076		2.1050	2.1050	3.8626	3.5934	3.5934	1.1959
H7	1.0078	3.3479	3.3479	3.8626	2.1050	2.1050		4.1825	4.1825	5.0584	2.5370	2.5370
H8	3.3479	1.0078	3.3479	2.1050	3.8626	2.1050	4.1825		4.1825	2.5370	5.0584	2.5370
H9	3.3479	3.3479	1.0078	2.1050	2.1050	3.8626	4.1825	4.1825		2.5370	2.5370	5.0584
H10	4.0506	2.2911	2.2911	1.1959	3.5934	3.5934	5.0584	2.5370	2.5370		4.5790	4.5790
H11	2.2911	4.0506	2.2911	3.5934	1.1959	3.5934	2.5370	5.0584	2.5370	4.5790		4.5790
H12	2.2911	2.2911	4.0506	3.5934	3.5934	1.1959	2.5370	2.5370	5.0584	4.5790	4.5790

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B5	N3	117.162	N1	B5	H11	121.419
N1	B6	N2	117.162	N1	B6	H12	121.419
N2	B4	N3	117.162	N2	B4	H10	121.419
N2	B6	H12	121.419	N3	B4	H10	121.419
N3	B5	H11	121.419	B4	N2	B6	122.838
B4	N2	H8	118.581	B4	N3	B5	122.838
B4	N3	H9	118.581	B5	N1	B6	122.838
B5	N1	H7	118.581	B5	N3	H9	118.581
B6	N1	H7	118.581	B6	N2	H8	118.581

All results from a given calculation for B₃N₃H₆ (borazine)

using model chemistry: B3PW91/6-311G**

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	-0.362
2	N	-0.362
3	N	-0.362
4	B	0.199
5	B	0.199
6	B	0.199
7	H	0.216
8	H	0.216
9	H	0.216
10	H	-0.053
11	H	-0.053
12	H	-0.053

<r²>	133.264
(<r²>)^1/2	11.544

All results from a given calculation for B3N3H6 (borazine)

using model chemistry: B3PW91/6-311G**

States and conformations

All results from a given calculation for B₃N₃H₆ (borazine)