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	hartrees
Energy at 0K	-242.390768
Energy at 298.15K	-242.400127
HF Energy	-242.156439
Nuclear repulsion energy	197.689542

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3637	3452	0.00
2	A₁'	2686	2550	0.00
3	A₁'	868	824	0.00
4	A'₁	951	903	0.00
5	A₂	939	891	261.02
6	A₂'	1327	1260	0.00
7	A₂'	1254	1191	0.00
8	A₂'	1058	1004	0.00
9	A₂"	741	703	62.05
10	A₂"	398	378	29.69
11	E'	3639	3454	42.07
11	E'	3639	3454	42.08
12	E'	2676	2540	290.03
12	E'	2676	2540	290.09
13	E'	1508	1431	503.42
13	E'	1508	1431	503.37
14	E'	1413	1341	11.95
14	E'	1413	1341	11.97
15	E'	1087	1032	0.19
15	E'	1087	1032	0.19
16	E'	951	903	0.02
16	E'	951	903	0.02
17	E'	525	498	0.58
17	E'	525	498	0.58
18	E"	929	882	0.00
18	E"	929	882	0.00
19	E"	716	680	0.00
19	E"	716	680	0.00
20	E"	287	272	0.00
20	E"	287	272	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.410
N2	1.221	-0.705
N3	-1.221	-0.705
B4	0.000	-1.452
B5	-1.257	0.726
B6	1.257	0.726
H7	0.000	2.420
H8	2.096	-1.210
H9	-2.096	-1.210
H10	0.000	-2.647
H11	-2.292	1.323
H12	2.292	1.323

	N1	N2	N3	B4	B5	B6	H7	H8	H9	H10	H11	H12
N1		2.4415	2.4415	2.8611	1.4310	1.4310	1.0105	3.3549	3.3549	4.0563	2.2937	2.2937
N2	2.4415		2.4415	1.4310	2.8611	1.4310	3.3549	1.0105	3.3549	2.2937	4.0563	2.2937
N3	2.4415	2.4415		1.4310	1.4310	2.8611	3.3549	3.3549	1.0105	2.2937	2.2937	4.0563
B4	2.8611	1.4310	1.4310		2.5141	2.5141	3.8716	2.1097	2.1097	1.1952	3.5991	3.5991
B5	1.4310	2.8611	1.4310	2.5141		2.5141	2.1097	3.8716	2.1097	3.5991	1.1952	3.5991
B6	1.4310	1.4310	2.8611	2.5141	2.5141		2.1097	2.1097	3.8716	3.5991	3.5991	1.1952
H7	1.0105	3.3549	3.3549	3.8716	2.1097	2.1097		4.1918	4.1918	5.0668	2.5410	2.5410
H8	3.3549	1.0105	3.3549	2.1097	3.8716	2.1097	4.1918		4.1918	2.5410	5.0668	2.5410
H9	3.3549	3.3549	1.0105	2.1097	2.1097	3.8716	4.1918	4.1918		2.5410	2.5410	5.0668
H10	4.0563	2.2937	2.2937	1.1952	3.5991	3.5991	5.0668	2.5410	2.5410		4.5842	4.5842
H11	2.2937	4.0563	2.2937	3.5991	1.1952	3.5991	2.5410	5.0668	2.5410	4.5842		4.5842
H12	2.2937	2.2937	4.0563	3.5991	3.5991	1.1952	2.5410	2.5410	5.0668	4.5842	4.5842

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B5	N3	117.094	N1	B5	H11	121.453
N1	B6	N2	117.094	N1	B6	H12	121.453
N2	B4	N3	117.094	N2	B4	H10	121.453
N2	B6	H12	121.453	N3	B4	H10	121.453
N3	B5	H11	121.453	B4	N2	B6	122.906
B4	N2	H8	118.547	B4	N3	B5	122.906
B4	N3	H9	118.547	B5	N1	B6	122.906
B5	N1	H7	118.547	B5	N3	H9	118.547
B6	N1	H7	118.547	B6	N2	H8	118.547

All results from a given calculation for B₃N₃H₆ (borazine)

using model chemistry: B2PLYP/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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Number	Element	Mulliken
1	N	-0.649
2	N	-0.649
3	N	-0.649
4	B	0.363
5	B	0.363
6	B	0.363
7	H	0.338
8	H	0.338
9	H	0.338
10	H	-0.052
11	H	-0.052
12	H	-0.052

<r²>	133.471
(<r²>)^1/2	11.553

All results from a given calculation for B3N3H6 (borazine)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for B₃N₃H₆ (borazine)