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	hartrees
Energy at 0K	-505.079951
Energy at 298.15K	-505.087510
HF Energy	-503.441177
Nuclear repulsion energy	449.738743

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3714	3518	0.00
2	A₁'	1938	1836	0.00
3	A₁'	1011	958	0.00
4	A₁'	689	652	0.00
5	A₂'	1407	1332	0.00
6	A₂'	1293	1225	0.00
7	A₂'	643	609	0.00
8	A₂"	791	749	89.37
9	A₂"	673	638	278.52
10	A₂"	124	118	0.91
11	E'	3711	3515	168.11
11	E'	3711	3515	168.11
12	E'	1918	1817	971.62
12	E'	1918	1817	971.65
13	E'	1522	1442	386.46
13	E'	1522	1442	386.52
14	E'	1439	1363	42.07
14	E'	1439	1363	42.10
15	E'	1060	1004	13.34
15	E'	1060	1004	13.34
16	E'	526	498	23.29
16	E'	526	498	23.30
17	E'	402	381	29.43
17	E'	402	381	29.49
18	E"	791	749	0.00
18	E"	791	749	0.00
19	E"	603	572	0.00
19	E"	603	572	0.00
20	E"	150	142	0.00
20	E"	150	142	0.00

Atom	x (Å)	y (Å)
C1	1.236	0.714
C2	-1.236	0.714
C3	0.000	-1.428
N4	0.000	1.332
N5	-1.154	-0.666
N6	1.154	-0.666
O7	2.274	1.313
O8	-2.274	1.313
O9	0.000	-2.626
H10	0.000	2.339
H11	-2.026	-1.169
H12	2.026	-1.169

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4727	2.4727	1.3823	2.7597	1.3823	1.1985	3.5614	3.5614	2.0419	3.7665	2.0419
C2	2.4727		2.4727	1.3823	1.3823	2.7597	3.5614	1.1985	3.5614	2.0419	2.0419	3.7665
C3	2.4727	2.4727		2.7597	1.3823	1.3823	3.5614	3.5614	1.1985	3.7665	2.0419	2.0419
N4	1.3823	1.3823	2.7597		2.3073	2.3073	2.2743	2.2743	3.9582	1.0068	3.2188	3.2188
N5	2.7597	1.3823	1.3823	2.3073		2.3073	3.9582	2.2743	2.2743	3.2188	1.0068	3.2188
N6	1.3823	2.7597	1.3823	2.3073	2.3073		2.2743	3.9582	2.2743	3.2188	3.2188	1.0068
O7	1.1985	3.5614	3.5614	2.2743	3.9582	2.2743		4.5485	4.5485	2.4949	4.9650	2.4949
O8	3.5614	1.1985	3.5614	2.2743	2.2743	3.9582	4.5485		4.5485	2.4949	2.4949	4.9650
O9	3.5614	3.5614	1.1985	3.9582	2.2743	2.2743	4.5485	4.5485		4.9650	2.4949	2.4949
H10	2.0419	2.0419	3.7665	1.0068	3.2188	3.2188	2.4949	2.4949	4.9650		4.0511	4.0511
H11	3.7665	2.0419	2.0419	3.2188	1.0068	3.2188	4.9650	2.4949	2.4949	4.0511		4.0511
H12	2.0419	3.7665	2.0419	3.2188	3.2188	1.0068	2.4949	4.9650	2.4949	4.0511	4.0511

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.861	C1	N4	H10	116.570
C1	N6	C3	126.861	C1	N6	H12	116.570
C2	N4	H10	116.570	C2	N5	C3	126.861
C2	N5	H11	116.570	C3	N5	H11	116.570
C3	N6	H12	116.570	N4	C1	N6	113.139
N4	C1	O7	123.430	N4	C2	N5	113.139
N4	C2	O8	123.430	N5	C2	O8	123.430
N5	C3	N6	113.139	N5	C3	O9	123.430
N6	C1	O7	123.430	N6	C3	O9	123.430

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

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

States and conformations

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