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	hartrees
Energy at 0K	-502.793804
Energy at 298.15K	-502.801616
HF Energy	-502.793804
Nuclear repulsion energy	445.145384

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3615	3470	0.00
2	A₁'	1852	1778	0.00
3	A₁'	1006	966	0.00
4	A₁'	668	642	0.00
5	A₂'	1439	1381	0.00
6	A₂'	1230	1181	0.00
7	A₂'	628	603	0.00
8	A₂"	902	866	432.29
9	A₂"	720	691	168.12
10	A₂"	177	170	4.00
11	E'	3611	3466	156.80
11	E'	3611	3466	156.81
12	E'	1835	1761	729.29
12	E'	1835	1761	729.24
13	E'	1456	1398	111.96
13	E'	1456	1398	112.00
14	E'	1436	1378	273.91
14	E'	1436	1378	273.91
15	E'	1044	1002	4.17
15	E'	1044	1002	4.17
16	E'	519	498	24.03
16	E'	519	498	24.03
17	E'	392	376	23.57
17	E'	392	376	23.57
18	E"	825	791	0.00
18	E"	825	791	0.00
19	E"	698	670	0.00
19	E"	698	670	0.00
20	E"	173	166	0.00
20	E"	173	166	0.00

Atom	x (Å)	y (Å)
C1	1.244	0.719
C2	-1.244	0.719
C3	0.000	-1.437
N4	0.000	1.336
N5	-1.157	-0.668
N6	1.157	-0.668
O7	2.305	1.331
O8	-2.305	1.331
O9	0.000	-2.662
H10	0.000	2.351
H11	-2.036	-1.175
H12	2.036	-1.175

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4890	2.4890	1.3893	2.7730	1.3893	1.2250	3.6023	3.6023	2.0526	3.7878	2.0526
C2	2.4890		2.4890	1.3893	1.3893	2.7730	3.6023	1.2250	3.6023	2.0526	2.0526	3.7878
C3	2.4890	2.4890		2.7730	1.3893	1.3893	3.6023	3.6023	1.2250	3.7878	2.0526	2.0526
N4	1.3893	1.3893	2.7730		2.3140	2.3140	2.3054	2.3054	3.9980	1.0148	3.2329	3.2329
N5	2.7730	1.3893	1.3893	2.3140		2.3140	3.9980	2.3054	2.3053	3.2329	1.0148	3.2329
N6	1.3893	2.7730	1.3893	2.3140	2.3140		2.3054	3.9980	2.3053	3.2329	3.2329	1.0148
O7	1.2250	3.6023	3.6023	2.3054	3.9980	2.3054		4.6107	4.6107	2.5208	5.0128	2.5208
O8	3.6023	1.2250	3.6023	2.3054	2.3054	3.9980	4.6107		4.6107	2.5208	2.5208	5.0128
O9	3.6023	3.6023	1.2250	3.9980	2.3053	2.3053	4.6107	4.6107		5.0128	2.5208	2.5208
H10	2.0526	2.0526	3.7878	1.0148	3.2329	3.2329	2.5208	2.5208	5.0128		4.0716	4.0716
H11	3.7878	2.0526	2.0526	3.2329	1.0148	3.2329	5.0128	2.5208	2.5208	4.0716		4.0717
H12	2.0526	3.7878	2.0526	3.2329	3.2329	1.0148	2.5208	5.0128	2.5208	4.0716	4.0717

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	127.220	C1	N4	H10	116.390
C1	N6	C3	127.220	C1	N6	H12	116.390
C2	N4	H10	116.390	C2	N5	C3	127.220
C2	N5	H11	116.390	C3	N5	H11	116.390
C3	N6	H12	116.390	N4	C1	N6	112.780
N4	C1	O7	123.610	N4	C2	N5	112.780
N4	C2	O8	123.610	N5	C2	O8	123.610
N5	C3	N6	112.780	N5	C3	O9	123.610
N6	C1	O7	123.610	N6	C3	O9	123.610

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

using model chemistry: PBE1PBE/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: PBE1PBE/3-21G*

States and conformations

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