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	hartrees
Energy at 0K	-505.951050
Energy at 298.15K	-505.943034
HF Energy	-506.169899
Nuclear repulsion energy	447.636040

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3641	3514	0.00
2	A₁'	1868	1803	0.00
3	A₁'	989	954	0.00
4	A₁'	667	644	0.00
5	A₂'	1364	1316	0.00
6	A₂'	1213	1170	0.00
7	A₂'	627	605	0.00
8	A₂"	769	742	88.61
9	A₂"	668	645	237.97
10	A₂"	131	127	2.19
11	E'	3639	3511	143.82
11	E'	3639	3511	143.81
12	E'	1847	1782	847.13
12	E'	1847	1782	847.13
13	E'	1457	1406	311.32
13	E'	1457	1406	311.26
14	E'	1400	1351	59.05
14	E'	1400	1351	59.05
15	E'	1026	990	9.32
15	E'	1026	990	9.33
16	E'	514	496	26.61
16	E'	514	496	26.61
17	E'	390	376	23.94
17	E'	390	376	23.95
18	E"	763	736	0.00
18	E"	763	736	0.00
19	E"	602	581	0.00
19	E"	602	581	0.00
20	E"	154	148	0.00
20	E"	154	148	0.00

Atom	x (Å)	y (Å)
C1	1.243	0.718
C2	-1.243	0.718
C3	0.000	-1.435
N4	0.000	1.337
N5	-1.157	-0.668
N6	1.157	-0.668
O7	2.287	1.320
O8	-2.287	1.320
O9	0.000	-2.640
H10	0.000	2.346
H11	-2.032	-1.173
H12	2.032	-1.173

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4863	2.4863	1.3886	2.7720	1.3886	1.2050	3.5809	3.5809	2.0486	3.7815	2.0486
C2	2.4863		2.4863	1.3886	1.3886	2.7720	3.5809	1.2050	3.5809	2.0486	2.0486	3.7815
C3	2.4863	2.4863		2.7720	1.3886	1.3886	3.5809	3.5809	1.2050	3.7815	2.0486	2.0486
N4	1.3886	1.3886	2.7720		2.3149	2.3149	2.2868	2.2868	3.9770	1.0095	3.2289	3.2289
N5	2.7720	1.3886	1.3886	2.3149		2.3149	3.9770	2.2868	2.2868	3.2289	1.0095	3.2289
N6	1.3886	2.7720	1.3886	2.3149	2.3149		2.2868	3.9770	2.2868	3.2289	3.2289	1.0095
O7	1.2050	3.5809	3.5809	2.2868	3.9770	2.2868		4.5734	4.5734	2.5062	4.9865	2.5062
O8	3.5809	1.2050	3.5809	2.2868	2.2868	3.9770	4.5734		4.5734	2.5062	2.5062	4.9865
O9	3.5809	3.5809	1.2050	3.9770	2.2868	2.2868	4.5734	4.5734		4.9865	2.5062	2.5062
H10	2.0486	2.0486	3.7815	1.0095	3.2289	3.2289	2.5062	2.5062	4.9865		4.0634	4.0634
H11	3.7815	2.0486	2.0486	3.2289	1.0095	3.2289	4.9865	2.5062	2.5062	4.0634		4.0634
H12	2.0486	3.7815	2.0486	3.2289	3.2289	1.0095	2.5062	4.9865	2.5062	4.0634	4.0634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.977	C1	N4	H10	116.511
C1	N6	C3	126.977	C1	N6	H12	116.511
C2	N4	H10	116.511	C2	N5	C3	126.977
C2	N5	H11	116.511	C3	N5	H11	116.511
C3	N6	H12	116.511	N4	C1	N6	113.023
N4	C1	O7	123.489	N4	C2	N5	113.023
N4	C2	O8	123.489	N5	C2	O8	123.489
N5	C3	N6	113.023	N5	C3	O9	123.489
N6	C1	O7	123.489	N6	C3	O9	123.489

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

using model chemistry: G4

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: G4

States and conformations

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