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	hartrees
Energy at 0K	-505.681708
Energy at 298.15K	-505.689235
HF Energy	-505.681708
Nuclear repulsion energy	449.408656

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3680	3525	0.00
2	A₁'	1900	1820	0.00
3	A₁'	1001	958	0.00
4	A₁'	680	651	0.00
5	A₂'	1366	1308	0.00
6	A₂'	1256	1203	0.00
7	A₂'	629	603	0.00
8	A₂"	782	749	92.54
9	A₂"	674	646	239.66
10	A₂"	132	127	2.21
11	E'	3678	3522	158.54
11	E'	3678	3522	158.51
12	E'	1879	1799	879.90
12	E'	1879	1799	879.88
13	E'	1491	1428	342.67
13	E'	1491	1428	342.68
14	E'	1407	1348	29.72
14	E'	1407	1348	29.72
15	E'	1041	997	7.17
15	E'	1041	997	7.16
16	E'	518	496	24.56
16	E'	518	496	24.56
17	E'	394	377	25.81
17	E'	394	377	25.82
18	E"	775	742	0.00
18	E"	775	742	0.00
19	E"	608	582	0.00
19	E"	608	582	0.00
20	E"	155	149	0.00
20	E"	155	149	0.00

Atom	x (Å)	y (Å)
C1	1.237	0.714
C2	-1.237	0.714
C3	0.000	-1.428
N4	0.000	1.331
N5	-1.152	-0.665
N6	1.152	-0.665
O7	2.278	1.315
O8	-2.278	1.315
O9	0.000	-2.630
H10	0.000	2.339
H11	-2.025	-1.169
H12	2.025	-1.169

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4733	2.4733	1.3819	2.7585	1.3819	1.2020	3.5653	3.5653	2.0417	3.7665	2.0417
C2	2.4733		2.4733	1.3819	1.3819	2.7585	3.5653	1.2020	3.5653	2.0417	2.0417	3.7665
C3	2.4733	2.4733		2.7585	1.3819	1.3819	3.5653	3.5653	1.2020	3.7665	2.0417	2.0417
N4	1.3819	1.3819	2.7585		2.3046	2.3046	2.2776	2.2776	3.9605	1.0080	3.2173	3.2173
N5	2.7585	1.3819	1.3819	2.3046		2.3046	3.9605	2.2776	2.2776	3.2173	1.0080	3.2173
N6	1.3819	2.7585	1.3819	2.3046	2.3046		2.2776	3.9605	2.2776	3.2173	3.2173	1.0080
O7	1.2020	3.5653	3.5653	2.2776	3.9605	2.2776		4.5552	4.5552	2.4970	4.9685	2.4970
O8	3.5653	1.2020	3.5653	2.2776	2.2776	3.9605	4.5552		4.5552	2.4970	2.4970	4.9685
O9	3.5653	3.5653	1.2020	3.9605	2.2776	2.2776	4.5552	4.5552		4.9685	2.4970	2.4970
H10	2.0417	2.0417	3.7665	1.0080	3.2173	3.2173	2.4970	2.4970	4.9685		4.0505	4.0505
H11	3.7665	2.0417	2.0417	3.2173	1.0080	3.2173	4.9685	2.4970	2.4970	4.0505		4.0505
H12	2.0417	3.7665	2.0417	3.2173	3.2173	1.0080	2.4970	4.9685	2.4970	4.0505	4.0505

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.999	C1	N4	H10	116.500
C1	N6	C3	126.999	C1	N6	H12	116.500
C2	N4	H10	116.500	C2	N5	C3	126.999
C2	N5	H11	116.500	C3	N5	H11	116.500
C3	N6	H12	116.500	N4	C1	N6	113.001
N4	C1	O7	123.500	N4	C2	N5	113.001
N4	C2	O8	123.500	N5	C2	O8	123.500
N5	C3	N6	113.001	N5	C3	O9	123.500
N6	C1	O7	123.500	N6	C3	O9	123.500

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

using model chemistry: HSEh1PBE/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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