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	hartrees
Energy at 0K	-505.722539
Energy at 298.15K	-505.730102
HF Energy	-505.722539
Nuclear repulsion energy	448.258945

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3656	3518	0.00
2	A₁'	1860	1790	0.00
3	A₁'	999	961	0.00
4	A₁'	677	651	0.00
5	A₂'	1374	1322	0.00
6	A₂'	1260	1213	0.00
7	A₂'	628	604	0.00
8	A₂"	767	738	90.60
9	A₂"	673	647	231.62
10	A₂"	136	131	3.67
11	E'	3654	3515	164.24
11	E'	3654	3515	164.25
12	E'	1839	1769	1055.05
12	E'	1839	1769	1055.06
13	E'	1493	1437	322.73
13	E'	1493	1437	322.66
14	E'	1403	1350	48.03
14	E'	1403	1350	48.02
15	E'	1038	999	12.24
15	E'	1038	999	12.24
16	E'	520	501	26.03
16	E'	520	501	26.03
17	E'	392	377	27.02
17	E'	392	377	27.04
18	E"	764	735	0.00
18	E"	764	735	0.00
19	E"	613	589	0.00
19	E"	613	589	0.00
20	E"	158	152	0.00
20	E"	158	152	0.00

Atom	x (Å)	y (Å)
C1	1.236	0.713
C2	-1.236	0.713
C3	0.000	-1.427
N4	0.000	1.336
N5	-1.157	-0.668
N6	1.157	-0.668
O7	2.283	1.318
O8	-2.283	1.318
O9	0.000	-2.636
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		2.4712	2.4712	1.3834	2.7624	1.3834	1.2095	3.5703	3.5703	2.0482	3.7736	2.0482
C2	2.4712		2.4712	1.3834	1.3834	2.7624	3.5703	1.2095	3.5703	2.0482	2.0482	3.7736
C3	2.4712	2.4712		2.7624	1.3834	1.3834	3.5703	3.5703	1.2095	3.7736	2.0482	2.0482
N4	1.3834	1.3834	2.7624		2.3134	2.3134	2.2831	2.2831	3.9719	1.0112	3.2290	3.2290
N5	2.7624	1.3834	1.3834	2.3134		2.3134	3.9719	2.2831	2.2831	3.2290	1.0112	3.2290
N6	1.3834	2.7624	1.3834	2.3134	2.3134		2.2831	3.9719	2.2831	3.2290	3.2290	1.0112
O7	1.2095	3.5703	3.5703	2.2831	3.9719	2.2831		4.5662	4.5662	2.5042	4.9832	2.5042
O8	3.5703	1.2095	3.5703	2.2831	2.2831	3.9719	4.5662		4.5662	2.5042	2.5042	4.9832
O9	3.5703	3.5703	1.2095	3.9719	2.2831	2.2831	4.5662	4.5662		4.9832	2.5042	2.5042
H10	2.0482	2.0482	3.7736	1.0112	3.2290	3.2290	2.5042	2.5042	4.9832		4.0650	4.0650
H11	3.7736	2.0482	2.0482	3.2290	1.0112	3.2290	4.9832	2.5042	2.5042	4.0650		4.0650
H12	2.0482	3.7736	2.0482	3.2290	3.2290	1.0112	2.5042	4.9832	2.5042	4.0650	4.0650

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.536	C1	N4	H10	116.732
C1	N6	C3	126.536	C1	N6	H12	116.732
C2	N4	H10	116.732	C2	N5	C3	126.536
C2	N5	H11	116.732	C3	N5	H11	116.732
C3	N6	H12	116.732	N4	C1	N6	113.464
N4	C1	O7	123.268	N4	C2	N5	113.464
N4	C2	O8	123.268	N5	C2	O8	123.268
N5	C3	N6	113.464	N5	C3	O9	123.268
N6	C1	O7	123.268	N6	C3	O9	123.268

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

using model chemistry: HSEh1PBE/aug-cc-pVDZ

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: HSEh1PBE/aug-cc-pVDZ

States and conformations

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