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	hartrees
Energy at 0K	-506.065988
Energy at 298.15K	-506.073057
HF Energy	-506.065988
Nuclear repulsion energy	441.451827

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3529	3510	0.00
2	A₁'	1755	1746	0.00
3	A₁'	949	944	0.00
4	A₁'	633	630	0.00
5	A₂'	1330	1323	0.00
6	A₂'	1128	1122	0.00
7	A₂'	602	598	0.00
8	A₂"	678	674	8.56
9	A₂"	624	620	316.45
10	A₂"	110	110	1.24
11	E'	3527	3508	139.12
11	E'	3527	3508	139.14
12	E'	1733	1724	950.15
12	E'	1733	1724	950.10
13	E'	1386	1379	186.53
13	E'	1386	1379	186.33
14	E'	1349	1342	190.74
14	E'	1349	1342	190.82
15	E'	981	976	17.67
15	E'	981	976	17.67
16	E'	497	495	28.65
16	E'	497	495	28.65
17	E'	371	369	20.58
17	E'	371	369	20.58
18	E"	703	699	0.00
18	E"	703	699	0.00
19	E"	557	555	0.00
19	E"	557	555	0.00
20	E"	143	142	0.00
20	E"	143	142	0.00

Atom	x (Å)	y (Å)
C1	1.257	0.726
C2	-1.257	0.726
C3	0.000	-1.452
N4	0.000	1.354
N5	-1.173	-0.677
N6	1.173	-0.677
O7	2.320	1.340
O8	-2.320	1.340
O9	0.000	-2.679
H10	0.000	2.374
H11	-2.056	-1.187
H12	2.056	-1.187

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.5144	2.5144	1.4054	2.8056	1.4054	1.2275	3.6298	3.6298	2.0731	3.8259	2.0731
C2	2.5144		2.5144	1.4054	1.4054	2.8056	3.6298	1.2275	3.6298	2.0731	2.0731	3.8259
C3	2.5144	2.5144		2.8056	1.4054	1.4054	3.6298	3.6298	1.2275	3.8259	2.0731	2.0731
N4	1.4054	1.4054	2.8056		2.3450	2.3450	2.3203	2.3203	4.0332	1.0203	3.2687	3.2687
N5	2.8056	1.4054	1.4054	2.3450		2.3450	4.0332	2.3203	2.3203	3.2687	1.0203	3.2687
N6	1.4054	2.8056	1.4054	2.3450	2.3450		2.3203	4.0332	2.3203	3.2687	3.2687	1.0203
O7	1.2275	3.6298	3.6298	2.3203	4.0332	2.3203		4.6406	4.6406	2.5405	5.0534	2.5405
O8	3.6298	1.2275	3.6298	2.3203	2.3203	4.0332	4.6406		4.6406	2.5405	2.5405	5.0534
O9	3.6298	3.6298	1.2275	4.0332	2.3203	2.3203	4.6406	4.6406		5.0534	2.5405	2.5405
H10	2.0731	2.0731	3.8259	1.0203	3.2687	3.2687	2.5405	2.5405	5.0534		4.1122	4.1122
H11	3.8259	2.0731	2.0731	3.2687	1.0203	3.2687	5.0534	2.5405	2.5405	4.1122		4.1122
H12	2.0731	3.8259	2.0731	3.2687	3.2687	1.0203	2.5405	5.0534	2.5405	4.1122	4.1122

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.911	C1	N4	H10	116.545
C1	N6	C3	126.911	C1	N6	H12	116.545
C2	N4	H10	116.545	C2	N5	C3	126.911
C2	N5	H11	116.545	C3	N5	H11	116.545
C3	N6	H12	116.545	N4	C1	N6	113.089
N4	C1	O7	123.455	N4	C2	N5	113.089
N4	C2	O8	123.455	N5	C2	O8	123.455
N5	C3	N6	113.089	N5	C3	O9	123.455
N6	C1	O7	123.455	N6	C3	O9	123.455

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

using model chemistry: BLYP/6-31+G**

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: BLYP/6-31+G**

States and conformations

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