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	hartrees
Energy at 0K	-505.776845
Energy at 298.15K	-505.784368
HF Energy	-505.776845
Nuclear repulsion energy	449.058195

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3665	3520	0.00
2	A₁'	1893	1818	0.00
3	A₁'	1001	962	0.00
4	A₁'	678	651	0.00
5	A₂'	1390	1335	0.00
6	A₂'	1241	1192	0.00
7	A₂'	637	612	0.00
8	A₂"	779	748	106.74
9	A₂"	669	643	254.36
10	A₂"	133	127	2.17
11	E'	3662	3517	163.95
11	E'	3662	3517	163.96
12	E'	1874	1799	992.56
12	E'	1874	1799	992.61
13	E'	1491	1432	333.21
13	E'	1491	1432	333.21
14	E'	1418	1362	72.29
14	E'	1418	1362	72.30
15	E'	1044	1003	11.02
15	E'	1044	1003	11.01
16	E'	522	501	25.60
16	E'	522	501	25.60
17	E'	397	382	25.40
17	E'	397	382	25.41
18	E"	766	736	0.00
18	E"	766	736	0.00
19	E"	600	576	0.00
19	E"	600	576	0.00
20	E"	148	142	0.00
20	E"	148	142	0.00

Atom	x (Å)	y (Å)
C1	1.238	0.715
C2	-1.238	0.715
C3	0.000	-1.430
N4	0.000	1.332
N5	-1.154	-0.666
N6	1.154	-0.666
O7	2.279	1.316
O8	-2.279	1.316
O9	0.000	-2.631
H10	0.000	2.341
H11	-2.028	-1.171
H12	2.028	-1.171

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4766	2.4766	1.3837	2.7622	1.3837	1.2014	3.5680	3.5680	2.0441	3.7711	2.0441
C2	2.4766		2.4766	1.3837	1.3837	2.7622	3.5680	1.2014	3.5680	2.0441	2.0441	3.7711
C3	2.4766	2.4766		2.7622	1.3837	1.3837	3.5680	3.5680	1.2014	3.7711	2.0441	2.0441
N4	1.3837	1.3837	2.7622		2.3077	2.3077	2.2788	2.2788	3.9636	1.0089	3.2212	3.2212
N5	2.7622	1.3837	1.3837	2.3077		2.3077	3.9636	2.2788	2.2788	3.2212	1.0089	3.2212
N6	1.3837	2.7622	1.3837	2.3077	2.3077		2.2788	3.9636	2.2788	3.2212	3.2212	1.0089
O7	1.2014	3.5680	3.5680	2.2788	3.9636	2.2788		4.5575	4.5575	2.4989	4.9725	2.4989
O8	3.5680	1.2014	3.5680	2.2788	2.2788	3.9636	4.5575		4.5575	2.4989	2.4989	4.9725
O9	3.5680	3.5680	1.2014	3.9636	2.2788	2.2788	4.5575	4.5575		4.9725	2.4989	2.4989
H10	2.0441	2.0441	3.7711	1.0089	3.2212	3.2212	2.4989	2.4989	4.9725		4.0552	4.0552
H11	3.7711	2.0441	2.0441	3.2212	1.0089	3.2212	4.9725	2.4989	2.4989	4.0552		4.0552
H12	2.0441	3.7711	2.0441	3.2212	3.2212	1.0089	2.4989	4.9725	2.4989	4.0552	4.0552

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	127.000	C1	N4	H10	116.500
C1	N6	C3	126.999	C1	N6	H12	116.500
C2	N4	H10	116.500	C2	N5	C3	126.999
C2	N5	H11	116.500	C3	N5	H11	116.500
C3	N6	H12	116.500	N4	C1	N6	113.001
N4	C1	O7	123.500	N4	C2	N5	113.001
N4	C2	O8	123.500	N5	C2	O8	123.500
N5	C3	N6	113.001	N5	C3	O9	123.500
N6	C1	O7	123.500	N6	C3	O9	123.500

All results from a given calculation for C₃H₃N₃O₃ (cyanuric acid)

using model chemistry: HSEh1PBE/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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All results from a given calculation for C3H3N3O3 (cyanuric acid)

using model chemistry: HSEh1PBE/6-311G**

States and conformations

All results from a given calculation for C₃H₃N₃O₃ (cyanuric acid)