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	hartrees
Energy at 0K	-504.983844
Energy at 298.15K	-504.991198
HF Energy	-503.516374
Nuclear repulsion energy	448.339604

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3702	3535	0.00
2	A₁'	1932	1846	0.00
3	A₁'	1009	964	0.00
4	A₁'	685	654	0.00
5	A₂'	1424	1360	0.00
6	A₂'	1277	1220	0.00
7	A₂'	646	617	0.00
8	A₂"	759	724	63.67
9	A₂"	638	610	321.06
10	A₂"	113	108	0.13
11	E'	3699	3533	150.64
11	E'	3699	3533	150.63
12	E'	1915	1829	1056.48
12	E'	1915	1829	1056.45
13	E'	1518	1450	367.97
13	E'	1518	1450	368.05
14	E'	1443	1378	95.23
14	E'	1443	1378	95.28
15	E'	1060	1012	19.45
15	E'	1060	1012	19.46
16	E'	527	503	23.33
16	E'	527	503	23.34
17	E'	403	385	28.59
17	E'	403	385	28.61
18	E"	760	726	0.00
18	E"	760	726	0.00
19	E"	555	530	0.00
19	E"	555	530	0.00
20	E"	121	116	0.00
20	E"	121	116	0.00

Atom	x (Å)	y (Å)
C1	1.242	0.717
C2	-1.242	0.717
C3	0.000	-1.434
N4	0.000	1.337
N5	-1.158	-0.668
N6	1.158	-0.668
O7	2.281	1.317
O8	-2.281	1.317
O9	0.000	-2.634
H10	0.000	2.345
H11	-2.031	-1.173
H12	2.031	-1.173

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4846	2.4846	1.3882	2.7713	1.3882	1.1992	3.5738	3.5738	2.0478	3.7796	2.0478
C2	2.4846		2.4846	1.3882	1.3882	2.7713	3.5738	1.1992	3.5738	2.0478	2.0478	3.7796
C3	2.4846	2.4846		2.7713	1.3882	1.3882	3.5738	3.5738	1.1992	3.7796	2.0478	2.0478
N4	1.3882	1.3882	2.7713		2.3155	2.3155	2.2809	2.2809	3.9706	1.0083	3.2283	3.2283
N5	2.7713	1.3882	1.3882	2.3155		2.3155	3.9706	2.2809	2.2809	3.2283	1.0083	3.2283
N6	1.3882	2.7713	1.3882	2.3155	2.3155		2.2809	3.9706	2.2809	3.2283	3.2283	1.0083
O7	1.1992	3.5738	3.5738	2.2809	3.9706	2.2809		4.5617	4.5617	2.5019	4.9789	2.5019
O8	3.5738	1.1992	3.5738	2.2809	2.2809	3.9706	4.5617		4.5617	2.5019	2.5019	4.9789
O9	3.5738	3.5738	1.1992	3.9706	2.2809	2.2809	4.5617	4.5617		4.9788	2.5019	2.5019
H10	2.0478	2.0478	3.7796	1.0083	3.2283	3.2283	2.5019	2.5019	4.9788		4.0619	4.0619
H11	3.7796	2.0478	2.0478	3.2283	1.0083	3.2283	4.9789	2.5019	2.5019	4.0619		4.0619
H12	2.0478	3.7796	2.0478	3.2283	3.2283	1.0083	2.5019	4.9789	2.5019	4.0619	4.0619

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.982	C1	N4	H10	116.509
C1	N6	C3	126.982	C1	N6	H12	116.509
C2	N4	H10	116.509	C2	N5	C3	126.982
C2	N5	H11	116.509	C3	N5	H11	116.509
C3	N6	H12	116.509	N4	C1	N6	113.018
N4	C1	O7	123.491	N4	C2	N5	113.018
N4	C2	O8	123.491	N5	C2	O8	123.491
N5	C3	N6	113.018	N5	C3	O9	123.491
N6	C1	O7	123.491	N6	C3	O9	123.491

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

using model chemistry: CCD/6-311G**

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: CCD/6-311G**

States and conformations

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