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	hartrees
Energy at 0K	-503.387801
Energy at 298.15K	-503.395743
HF Energy	-503.387801
Nuclear repulsion energy	452.811457

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3866	3473	0.00
2	A₁'	2055	1847	0.00
3	A₁'	1078	969	0.00
4	A₁'	730	656	0.00
5	A₂'	1538	1382	0.00
6	A₂'	1369	1230	0.00
7	A₂'	694	624	0.00
8	A₂"	859	772	264.83
9	A₂"	713	640	324.90
10	A₂"	151	135	1.56
11	E'	3862	3470	201.86
11	E'	3862	3470	201.86
12	E'	2028	1822	1254.82
12	E'	2028	1822	1254.82
13	E'	1623	1458	349.65
13	E'	1623	1458	349.65
14	E'	1550	1393	165.34
14	E'	1550	1393	165.34
15	E'	1127	1012	15.22
15	E'	1127	1012	15.22
16	E'	564	507	29.18
16	E'	564	507	29.18
17	E'	430	386	36.60
17	E'	430	386	36.60
18	E"	838	753	0.00
18	E"	838	753	0.00
19	E"	652	586	0.00
19	E"	652	586	0.00
20	E"	167	150	0.00
20	E"	167	150	0.00

Atom	x (Å)	y (Å)
C1	1.228	0.709
C2	-1.228	0.709
C3	0.000	-1.418
N4	0.000	1.328
N5	-1.150	-0.664
N6	1.150	-0.664
O7	2.256	1.302
O8	-2.256	1.302
O9	0.000	-2.605
H10	0.000	2.326
H11	-2.014	-1.163
H12	2.014	-1.163

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4558	2.4558	1.3752	2.7461	1.3752	1.1870	3.5340	3.5340	2.0305	3.7439	2.0305
C2	2.4558		2.4558	1.3752	1.3752	2.7461	3.5340	1.1870	3.5340	2.0305	2.0305	3.7439
C3	2.4558	2.4558		2.7461	1.3752	1.3752	3.5340	3.5340	1.1870	3.7439	2.0305	2.0305
N4	1.3752	1.3752	2.7461		2.3006	2.3006	2.2560	2.2560	3.9331	0.9978	3.2038	3.2038
N5	2.7461	1.3752	1.3752	2.3006		2.3006	3.9331	2.2560	2.2560	3.2038	0.9978	3.2038
N6	1.3752	2.7461	1.3752	2.3006	2.3006		2.2560	3.9331	2.2560	3.2038	3.2038	0.9978
O7	1.1870	3.5340	3.5340	2.2560	3.9331	2.2560		4.5118	4.5118	2.4773	4.9309	2.4773
O8	3.5340	1.1870	3.5340	2.2560	2.2560	3.9331	4.5118		4.5118	2.4773	2.4773	4.9309
O9	3.5340	3.5340	1.1870	3.9331	2.2560	2.2560	4.5118	4.5118		4.9309	2.4773	2.4773
H10	2.0305	2.0305	3.7439	0.9978	3.2038	3.2038	2.4773	2.4773	4.9309		4.0289	4.0289
H11	3.7439	2.0305	2.0305	3.2038	0.9978	3.2038	4.9309	2.4773	2.4773	4.0289		4.0289
H12	2.0305	3.7439	2.0305	3.2038	3.2038	0.9978	2.4773	4.9309	2.4773	4.0289	4.0289

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.467	C1	N4	H10	116.766
C1	N6	C3	126.467	C1	N6	H12	116.766
C2	N4	H10	116.766	C2	N5	C3	126.467
C2	N5	H11	116.766	C3	N5	H11	116.766
C3	N6	H12	116.766	N4	C1	N6	113.533
N4	C1	O7	123.234	N4	C2	N5	113.533
N4	C2	O8	123.234	N5	C2	O8	123.234
N5	C3	N6	113.533	N5	C3	O9	123.234
N6	C1	O7	123.234	N6	C3	O9	123.234

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

using model chemistry: HF/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: HF/6-31G*

States and conformations

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