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	hartrees
Energy at 0K	-503.883748
Energy at 298.15K	-503.891697
HF Energy	-503.135432
Nuclear repulsion energy	445.161358

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3771	3526	0.00
2	A₁'	1872	1751	0.00
3	A₁'	1044	977	0.00
4	A₁'	701	656	0.00
5	A₂'	1525	1426	0.00
6	A₂'	1346	1259	0.00
7	A₂'	659	616	0.00
8	A₂"	858	802	614.59
9	A₂"	719	672	125.74
10	A₂"	176	165	7.33
11	E'	3766	3522	169.71
11	E'	3766	3522	169.71
12	E'	1866	1745	1063.26
12	E'	1866	1745	1063.26
13	E'	1531	1431	209.38
13	E'	1531	1431	209.38
14	E'	1506	1409	234.59
14	E'	1506	1409	234.60
15	E'	1090	1019	11.97
15	E'	1090	1019	11.97
16	E'	551	515	28.39
16	E'	551	515	28.39
17	E'	407	380	32.45
17	E'	407	380	32.45
18	E"	801	749	0.00
18	E"	801	749	0.00
19	E"	699	654	0.00
19	E"	699	654	0.00
20	E"	178	166	0.00
20	E"	178	166	0.00

Atom	x (Å)	y (Å)
C1	1.240	0.716
C2	-1.240	0.716
C3	0.000	-1.432
N4	0.000	1.342
N5	-1.163	-0.671
N6	1.163	-0.671
O7	2.304	1.330
O8	-2.304	1.330
O9	0.000	-2.660
H10	0.000	2.347
H11	-2.032	-1.173
H12	2.032	-1.173

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4804	2.4804	1.3894	2.7744	1.3894	1.2279	3.5966	3.5966	2.0487	3.7787	2.0487
C2	2.4804		2.4804	1.3894	1.3894	2.7744	3.5966	1.2279	3.5966	2.0487	2.0487	3.7787
C3	2.4804	2.4804		2.7744	1.3894	1.3894	3.5966	3.5966	1.2279	3.7787	2.0487	2.0487
N4	1.3894	1.3894	2.7744		2.3250	2.3250	2.3037	2.3037	4.0023	1.0043	3.2340	3.2340
N5	2.7744	1.3894	1.3894	2.3250		2.3250	4.0023	2.3037	2.3037	3.2340	1.0043	3.2340
N6	1.3894	2.7744	1.3894	2.3250	2.3250		2.3037	4.0023	2.3037	3.2340	3.2340	1.0043
O7	1.2279	3.5966	3.5966	2.3037	4.0023	2.3037		4.6073	4.6073	2.5180	5.0067	2.5180
O8	3.5966	1.2279	3.5966	2.3037	2.3037	4.0023	4.6073		4.6073	2.5180	2.5180	5.0067
O9	3.5966	3.5966	1.2279	4.0023	2.3037	2.3037	4.6073	4.6073		5.0067	2.5180	2.5180
H10	2.0487	2.0487	3.7787	1.0043	3.2340	3.2340	2.5180	2.5180	5.0067		4.0646	4.0646
H11	3.7787	2.0487	2.0487	3.2340	1.0043	3.2340	5.0067	2.5180	2.5180	4.0646		4.0646
H12	2.0487	3.7787	2.0487	3.2340	3.2340	1.0043	2.5180	5.0067	2.5180	4.0646	4.0646

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.411	C1	N4	H10	116.794
C1	N6	C3	126.411	C1	N6	H12	116.794
C2	N4	H10	116.794	C2	N5	C3	126.411
C2	N5	H11	116.794	C3	N5	H11	116.794
C3	N6	H12	116.794	N4	C1	N6	113.589
N4	C1	O7	123.206	N4	C2	N5	113.589
N4	C2	O8	123.206	N5	C2	O8	123.206
N5	C3	N6	113.589	N5	C3	O9	123.206
N6	C1	O7	123.206	N6	C3	O9	123.206

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

using model chemistry: CID/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: CID/6-31G

States and conformations

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