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	hartrees
Energy at 0K	-505.763074
Energy at 298.15K	-505.770960
HF Energy	-505.763074
Nuclear repulsion energy	444.937932

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3661	3661	0.00
2	A₁'	1840	1840	0.03
3	A₁'	1014	1014	0.00
4	A₁'	688	688	0.00
5	A₂'	1445	1445	0.05
6	A₂'	1309	1309	0.00
7	A₂'	643	643	0.00
8	A₂"	872	872	457.78
9	A₂"	707	707	182.87
10	A₂"	177	177	7.82
11	E'	3657	3657	180.88
11	E'	3657	3657	180.90
12	E'	1827	1827	990.07
12	E'	1827	1827	987.03
13	E'	1498	1498	315.94
13	E'	1498	1498	315.58
14	E'	1448	1448	74.08
14	E'	1448	1448	74.40
15	E'	1067	1067	6.07
15	E'	1067	1067	6.08
16	E'	534	534	25.48
16	E'	534	534	25.37
17	E'	399	399	27.71
17	E'	399	399	27.54
18	E"	802	802	0.00
18	E"	802	802	0.00
19	E"	685	685	0.00
19	E"	685	685	0.00
20	E"	186	186	0.00
20	E"	186	186	0.00

Atom	x (Å)	y (Å)
C1	1.241	0.716
C2	-1.241	0.716
C3	0.000	-1.433
N4	0.000	1.341
N5	-1.162	-0.671
N6	1.162	-0.671
O7	2.305	1.331
O8	-2.305	1.331
O9	0.000	-2.661
H10	0.000	2.353
H11	-2.038	-1.176
H12	2.038	-1.176

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4817	2.4817	1.3893	2.7741	1.3893	1.2286	3.5985	3.5985	2.0536	3.7855	2.0536
C2	2.4817		2.4817	1.3893	1.3893	2.7741	3.5985	1.2286	3.5985	2.0536	2.0536	3.7855
C3	2.4817	2.4817		2.7742	1.3893	1.3893	3.5985	3.5985	1.2286	3.7855	2.0536	2.0536
N4	1.3893	1.3893	2.7742		2.3233	2.3233	2.3049	2.3049	4.0027	1.0114	3.2389	3.2389
N5	2.7741	1.3893	1.3893	2.3233		2.3233	4.0027	2.3049	2.3049	3.2389	1.0114	3.2389
N6	1.3893	2.7741	1.3893	2.3233	2.3233		2.3049	4.0027	2.3049	3.2389	3.2389	1.0114
O7	1.2286	3.5985	3.5985	2.3049	4.0027	2.3049		4.6097	4.6097	2.5213	5.0141	2.5213
O8	3.5985	1.2286	3.5985	2.3049	2.3049	4.0027	4.6097		4.6097	2.5213	2.5213	5.0141
O9	3.5985	3.5985	1.2286	4.0027	2.3049	2.3049	4.6097	4.6097		5.0141	2.5213	2.5213
H10	2.0536	2.0536	3.7855	1.0114	3.2389	3.2389	2.5213	2.5213	5.0141		4.0750	4.0750
H11	3.7855	2.0536	2.0536	3.2389	1.0114	3.2389	5.0141	2.5213	2.5213	4.0750		4.0750
H12	2.0536	3.7855	2.0536	3.2389	3.2389	1.0114	2.5213	5.0141	2.5213	4.0750	4.0750

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.537	C1	N4	H10	116.731
C1	N6	C3	126.537	C1	N6	H12	116.731
C2	N4	H10	116.731	C2	N5	C3	126.537
C2	N5	H11	116.731	C3	N5	H11	116.731
C3	N6	H12	116.731	N4	C1	N6	113.463
N4	C1	O7	123.269	N4	C2	N5	113.463
N4	C2	O8	123.269	N5	C2	O8	123.269
N5	C3	N6	113.463	N5	C3	O9	123.269
N6	C1	O7	123.269	N6	C3	O9	123.269

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

using model chemistry: M06-2X/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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All results from a given calculation for C3H3N3O3 (cyanuric acid)

using model chemistry: M06-2X/6-31G

States and conformations

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