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	hartrees
Energy at 0K	-506.340049
Energy at 298.15K	-506.347483
HF Energy	-506.340049
Nuclear repulsion energy	447.520785

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3607	3482	0.00
2	A₁'	1817	1753	0.00
3	A₁'	985	951	0.00
4	A₁'	660	637	0.00
5	A₂'	1370	1322	0.00
6	A₂'	1200	1158	0.00
7	A₂'	616	595	0.00
8	A₂"	746	720	75.02
9	A₂"	667	644	233.89
10	A₂"	130	126	3.17
11	E'	3605	3480	146.07
11	E'	3605	3480	146.15
12	E'	1796	1733	987.35
12	E'	1796	1733	987.20
13	E'	1449	1399	278.56
13	E'	1449	1399	278.57
14	E'	1397	1348	98.84
14	E'	1397	1348	98.79
15	E'	1019	984	16.70
15	E'	1019	984	16.70
16	E'	508	491	26.60
16	E'	508	491	26.60
17	E'	384	370	24.54
17	E'	384	370	24.55
18	E"	749	723	0.00
18	E"	749	723	0.00
19	E"	600	579	0.00
19	E"	600	579	0.00
20	E"	155	149	0.00
20	E"	155	149	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	1.337
N5	-1.158	-0.668
N6	1.158	-0.668
O7	2.288	1.321
O8	-2.288	1.321
O9	0.000	-2.641
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		2.4800	2.4800	1.3867	2.7686	1.3867	1.2096	3.5790	3.5790	2.0486	3.7785	2.0486
C2	2.4800		2.4800	1.3867	1.3867	2.7686	3.5790	1.2096	3.5790	2.0486	2.0486	3.7785
C3	2.4800	2.4800		2.7686	1.3867	1.3867	3.5790	3.5790	1.2096	3.7785	2.0486	2.0486
N4	1.3867	1.3867	2.7686		2.3153	2.3153	2.2876	2.2876	3.9782	1.0099	3.2296	3.2296
N5	2.7686	1.3867	1.3867	2.3153		2.3153	3.9782	2.2876	2.2876	3.2296	1.0099	3.2296
N6	1.3867	2.7686	1.3867	2.3153	2.3153		2.2876	3.9782	2.2876	3.2296	3.2296	1.0099
O7	1.2096	3.5790	3.5790	2.2876	3.9782	2.2876		4.5751	4.5751	2.5071	4.9881	2.5071
O8	3.5790	1.2096	3.5790	2.2876	2.2876	3.9782	4.5751		4.5751	2.5071	2.5071	4.9881
O9	3.5790	3.5790	1.2096	3.9782	2.2876	2.2876	4.5751	4.5751		4.9881	2.5071	2.5071
H10	2.0486	2.0486	3.7785	1.0099	3.2296	3.2296	2.5071	2.5071	4.9881		4.0645	4.0645
H11	3.7785	2.0486	2.0486	3.2296	1.0099	3.2296	4.9881	2.5071	2.5071	4.0645		4.0645
H12	2.0486	3.7785	2.0486	3.2296	3.2296	1.0099	2.5071	4.9881	2.5071	4.0645	4.0645

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.811	C1	N4	H10	116.594
C1	N6	C3	126.811	C1	N6	H12	116.594
C2	N4	H10	116.594	C2	N5	C3	126.811
C2	N5	H11	116.594	C3	N5	H11	116.594
C3	N6	H12	116.594	N4	C1	N6	113.189
N4	C1	O7	123.406	N4	C2	N5	113.189
N4	C2	O8	123.406	N5	C2	O8	123.406
N5	C3	N6	113.189	N5	C3	O9	123.406
N6	C1	O7	123.406	N6	C3	O9	123.406

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

using model chemistry: TPSSh/aug-cc-pVTZ

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: TPSSh/aug-cc-pVTZ

States and conformations

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