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	hartrees
Energy at 0K	-503.158963
Energy at 298.15K	-503.166768
HF Energy	-503.158963
Nuclear repulsion energy	445.781710

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3620	3463	0.00
2	A₁'	1852	1772	0.00
3	A₁'	1003	960	0.00
4	A₁'	668	639	0.00
5	A₂'	1438	1376	0.01
6	A₂'	1222	1169	0.00
7	A₂'	624	597	0.00
8	A₂"	902	863	437.37
9	A₂"	719	688	160.62
10	A₂"	177	169	4.16
11	E'	3617	3460	154.96
11	E'	3617	3460	154.90
12	E'	1834	1755	733.96
12	E'	1834	1755	734.38
13	E'	1456	1393	98.65
13	E'	1456	1393	99.19
14	E'	1435	1372	297.56
14	E'	1434	1372	297.49
15	E'	1041	996	4.69
15	E'	1041	996	4.71
16	E'	513	491	23.05
16	E'	513	491	23.06
17	E'	391	374	24.14
17	E'	391	374	24.15
18	E"	824	788	0.00
18	E"	824	788	0.00
19	E"	697	667	0.00
19	E"	697	667	0.00
20	E"	170	163	0.00
20	E"	170	163	0.00

Atom	x (Å)	y (Å)
C1	1.243	0.718
C2	-1.243	0.718
C3	0.000	-1.436
N4	0.000	1.334
N5	-1.155	-0.667
N6	1.155	-0.667
O7	2.302	1.329
O8	-2.302	1.329
O9	0.000	-2.658
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		2.4864	2.4864	1.3876	2.7696	1.3876	1.2227	3.5976	3.5976	2.0492	3.7823	2.0492
C2	2.4864		2.4864	1.3876	1.3876	2.7696	3.5976	1.2227	3.5976	2.0492	2.0492	3.7823
C3	2.4864	2.4864		2.7696	1.3876	1.3876	3.5976	3.5976	1.2227	3.7823	2.0492	2.0492
N4	1.3876	1.3876	2.7696		2.3106	2.3106	2.3021	2.3021	3.9923	1.0127	3.2276	3.2276
N5	2.7696	1.3876	1.3876	2.3106		2.3106	3.9923	2.3021	2.3021	3.2276	1.0127	3.2276
N6	1.3876	2.7696	1.3876	2.3106	2.3106		2.3021	3.9923	2.3021	3.2276	3.2276	1.0127
O7	1.2227	3.5976	3.5976	2.3021	3.9923	2.3021		4.6042	4.6042	2.5170	5.0050	2.5170
O8	3.5976	1.2227	3.5976	2.3021	2.3021	3.9923	4.6042		4.6042	2.5170	2.5170	5.0050
O9	3.5976	3.5976	1.2227	3.9923	2.3021	2.3021	4.6042	4.6042		5.0050	2.5170	2.5170
H10	2.0492	2.0492	3.7823	1.0127	3.2276	3.2276	2.5170	2.5170	5.0050		4.0647	4.0647
H11	3.7823	2.0492	2.0492	3.2276	1.0127	3.2276	5.0050	2.5170	2.5170	4.0647		4.0647
H12	2.0492	3.7823	2.0492	3.2276	3.2276	1.0127	2.5170	5.0050	2.5170	4.0647	4.0647

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	127.264	C1	N4	H10	116.368
C1	N6	C3	127.264	C1	N6	H12	116.368
C2	N4	H10	116.368	C2	N5	C3	127.264
C2	N5	H11	116.368	C3	N5	H11	116.368
C3	N6	H12	116.368	N4	C1	N6	112.736
N4	C1	O7	123.632	N4	C2	N5	112.736
N4	C2	O8	123.632	N5	C2	O8	123.632
N5	C3	N6	112.736	N5	C3	O9	123.632
N6	C1	O7	123.632	N6	C3	O9	123.632

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

using model chemistry: B1B95/3-21G

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: B1B95/3-21G

States and conformations

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