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	hartrees
Energy at 0K	-503.125228
Energy at 298.15K	-503.133047
HF Energy	-503.125228
Nuclear repulsion energy	444.744586

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3586	3438	0.00
2	A₁'	1868	1790	0.00
3	A₁'	1004	962	0.00
4	A₁'	677	649	0.00
5	A₂'	1434	1375	0.01
6	A₂'	1243	1192	0.00
7	A₂'	640	614	0.00
8	A₂"	910	872	453.80
9	A₂"	697	668	198.18
10	A₂"	174	167	3.97
11	E'	3581	3434	180.99
11	E'	3581	3434	180.92
12	E'	1847	1771	800.92
12	E'	1847	1770	799.38
13	E'	1464	1404	248.08
13	E'	1464	1403	246.46
14	E'	1439	1379	176.99
14	E'	1438	1379	175.89
15	E'	1053	1009	4.44
15	E'	1053	1009	4.44
16	E'	523	501	24.14
16	E'	523	501	24.09
17	E'	399	382	26.19
17	E'	399	382	26.13
18	E"	822	788	0.00
18	E"	822	788	0.00
19	E"	679	651	0.00
19	E"	679	651	0.00
20	E"	168	162	0.00
20	E"	168	161	0.00

Atom	x (Å)	y (Å)
C1	1.247	0.720
C2	-1.247	0.720
C3	0.000	-1.439
N4	0.000	1.340
N5	-1.160	-0.670
N6	1.160	-0.670
O7	2.305	1.331
O8	-2.305	1.331
O9	0.000	-2.662
H10	0.000	2.356
H11	-2.041	-1.178
H12	2.041	-1.178

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4931	2.4931	1.3922	2.7791	1.3922	1.2227	3.6043	3.6043	2.0574	3.7958	2.0574
C2	2.4931		2.4931	1.3922	1.3922	2.7791	3.6043	1.2227	3.6043	2.0574	2.0574	3.7958
C3	2.4931	2.4931		2.7791	1.3922	1.3922	3.6043	3.6043	1.2227	3.7958	2.0574	2.0574
N4	1.3922	1.3922	2.7791		2.3204	2.3204	2.3055	2.3055	4.0018	1.0167	3.2410	3.2410
N5	2.7791	1.3922	1.3922	2.3204		2.3204	4.0018	2.3055	2.3055	3.2410	1.0167	3.2410
N6	1.3922	2.7791	1.3922	2.3204	2.3204		2.3055	4.0018	2.3055	3.2410	3.2410	1.0167
O7	1.2227	3.6043	3.6043	2.3055	4.0018	2.3055		4.6110	4.6110	2.5232	5.0185	2.5232
O8	3.6043	1.2227	3.6043	2.3055	2.3055	4.0018	4.6110		4.6110	2.5232	2.5232	5.0185
O9	3.6043	3.6043	1.2227	4.0018	2.3055	2.3055	4.6110	4.6110		5.0185	2.5232	2.5232
H10	2.0574	2.0574	3.7958	1.0167	3.2410	3.2410	2.5232	2.5232	5.0185		4.0814	4.0814
H11	3.7958	2.0574	2.0574	3.2410	1.0167	3.2410	5.0185	2.5232	2.5232	4.0814		4.0814
H12	2.0574	3.7958	2.0574	3.2410	3.2410	1.0167	2.5232	5.0185	2.5232	4.0814	4.0814

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	127.113	C1	N4	H10	116.443
C1	N6	C3	127.114	C1	N6	H12	116.443
C2	N4	H10	116.443	C2	N5	C3	127.114
C2	N5	H11	116.443	C3	N5	H11	116.443
C3	N6	H12	116.443	N4	C1	N6	112.887
N4	C1	O7	123.557	N4	C2	N5	112.887
N4	C2	O8	123.557	N5	C2	O8	123.557
N5	C3	N6	112.886	N5	C3	O9	123.557
N6	C1	O7	123.557	N6	C3	O9	123.557

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

using model chemistry: M06-2X/3-21G

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: M06-2X/3-21G

States and conformations

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