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	hartrees
Energy at 0K	-506.050293
Energy at 298.15K	-506.057877
HF Energy	-506.050293
Nuclear repulsion energy	440.892091

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3641	3499	0.00
2	A₁'	1742	1675	0.00
3	A₁'	979	941	0.00
4	A₁'	651	625	0.00
5	A₂'	1430	1374	0.00
6	A₂'	1241	1193	0.00
7	A₂'	605	582	0.00
8	A₂"	814	782	390.58
9	A₂"	694	667	133.20
10	A₂"	169	163	0.00
11	E'	3637	3496	155.44
11	E'	3637	3496	155.43
12	E'	1740	1672	941.24
12	E'	1740	1672	941.24
13	E'	1429	1374	166.40
13	E'	1429	1374	166.17
14	E'	1413	1358	219.69
14	E'	1413	1358	219.87
15	E'	1025	985	6.78
15	E'	1025	985	6.78
16	E'	515	495	28.84
16	E'	515	495	28.84
17	E'	376	361	27.04
17	E'	376	361	27.04
18	E"	762	733	0.00
18	E"	762	733	0.00
19	E"	666	640	0.00
19	E"	666	640	0.00
20	E"	170	163	8.48
20	E"	169	163	0.00

Atom	x (Å)	y (Å)
C1	1.251	0.722
C2	-1.251	0.722
C3	0.000	-1.445
N4	0.000	1.354
N5	-1.173	-0.677
N6	1.173	-0.677
O7	2.327	1.343
O8	-2.327	1.343
O9	0.000	-2.687
H10	0.000	2.370
H11	-2.052	-1.185
H12	2.052	-1.185

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.5022	2.5022	1.4017	2.7991	1.4017	1.2418	3.6312	3.6312	2.0685	3.8142	2.0685
C2	2.5022		2.5022	1.4017	1.4017	2.7991	3.6312	1.2418	3.6312	2.0685	2.0685	3.8142
C3	2.5022	2.5022		2.7991	1.4017	1.4017	3.6312	3.6312	1.2418	3.8142	2.0685	2.0685
N4	1.4017	1.4017	2.7991		2.3460	2.3460	2.3266	2.3266	4.0409	1.0151	3.2648	3.2648
N5	2.7991	1.4017	1.4017	2.3460		2.3460	4.0409	2.3266	2.3266	3.2648	1.0151	3.2648
N6	1.4017	2.7991	1.4017	2.3460	2.3460		2.3266	4.0409	2.3266	3.2648	3.2648	1.0151
O7	1.2418	3.6312	3.6312	2.3266	4.0409	2.3266		4.6532	4.6532	2.5429	5.0561	2.5429
O8	3.6312	1.2418	3.6312	2.3266	2.3266	4.0409	4.6532		4.6532	2.5429	2.5429	5.0561
O9	3.6312	3.6312	1.2418	4.0409	2.3266	2.3266	4.6532	4.6532		5.0561	2.5429	2.5429
H10	2.0685	2.0685	3.8142	1.0151	3.2648	3.2648	2.5429	2.5429	5.0561		4.1042	4.1042
H11	3.8142	2.0685	2.0685	3.2648	1.0151	3.2648	5.0561	2.5429	2.5429	4.1042		4.1042
H12	2.0685	3.8142	2.0685	3.2648	3.2648	1.0151	2.5429	5.0561	2.5429	4.1042	4.1042

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.391	C1	N4	H10	116.804
C1	N6	C3	126.391	C1	N6	H12	116.804
C2	N4	H10	116.804	C2	N5	C3	126.391
C2	N5	H11	116.804	C3	N5	H11	116.804
C3	N6	H12	116.804	N4	C1	N6	113.609
N4	C1	O7	123.196	N4	C2	N5	113.609
N4	C2	O8	123.196	N5	C2	O8	123.196
N5	C3	N6	113.609	N5	C3	O9	123.196
N6	C1	O7	123.196	N6	C3	O9	123.196

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

using model chemistry: B3LYP/LANL2DZ

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: B3LYP/LANL2DZ

States and conformations

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