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	hartrees
Energy at 0K	-504.857398
Energy at 298.15K	-504.864705
HF Energy	-503.379661
Nuclear repulsion energy	445.501038

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁'	3623	3623
2	A₁'	1879	1879
3	A₁'	998	998
4	A₁'	672	672
5	A₂'	1393	1393
6	A₂'	1260	1260
7	A₂'	620	620
8	A₂"	708	708
9	A₂"	664	664
10	A₂"	115	115
11	E'	3620	3620
11	E'	3620	3620
12	E'	1866	1866
12	E'	1866	1866
13	E'	1492	1492
13	E'	1492	1492
14	E'	1420	1420
14	E'	1419	1419
15	E'	1043	1043
15	E'	1041	1041
16	E'	518	518
16	E'	518	518
17	E'	387	387
17	E'	387	387
18	E"	729	729
18	E"	729	729
19	E"	594	594
19	E"	594	594
20	E"	143	143
20	E"	143	143

Atom	x (Å)	y (Å)
C1	1.246	0.719
C2	-1.246	0.719
C3	0.000	-1.439
N4	0.000	1.339
N5	-1.160	-0.670
N6	1.160	-0.670
O7	2.300	1.328
O8	-2.300	1.328
O9	0.000	-2.656
H10	0.000	2.355
H11	-2.040	-1.178
H12	2.040	-1.178

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4923	2.4923	1.3917	2.7781	1.3917	1.2168	3.5979	3.5979	2.0564	3.7942	2.0564
C2	2.4923		2.4923	1.3917	1.3917	2.7781	3.5979	1.2168	3.5979	2.0564	2.0564	3.7942
C3	2.4923	2.4923		2.7781	1.3917	1.3917	3.5979	3.5979	1.2168	3.7942	2.0564	2.0564
N4	1.3917	1.3917	2.7781		2.3196	2.3196	2.2999	2.2999	3.9949	1.0161	3.2396	3.2396
N5	2.7781	1.3917	1.3917	2.3196		2.3196	3.9949	2.2999	2.2999	3.2396	1.0161	3.2396
N6	1.3917	2.7781	1.3917	2.3196	2.3196		2.2999	3.9949	2.2999	3.2396	3.2396	1.0161
O7	1.2168	3.5979	3.5979	2.2999	3.9949	2.2999		4.5998	4.5998	2.5190	5.0110	2.5190
O8	3.5979	1.2168	3.5979	2.2999	2.2999	3.9949	4.5998		4.5998	2.5190	2.5190	5.0110
O9	3.5979	3.5979	1.2168	3.9949	2.2999	2.2999	4.5998	4.5998		5.0110	2.5190	2.5190
H10	2.0564	2.0564	3.7942	1.0161	3.2396	3.2396	2.5190	2.5190	5.0110		4.0795	4.0795
H11	3.7942	2.0564	2.0564	3.2396	1.0161	3.2396	5.0110	2.5190	2.5190	4.0795		4.0795
H12	2.0564	3.7942	2.0564	3.2396	3.2396	1.0161	2.5190	5.0110	2.5190	4.0795	4.0795

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	127.115	C1	N4	H10	116.442
C1	N6	C3	127.115	C1	N6	H12	116.442
C2	N4	H10	116.442	C2	N5	C3	127.115
C2	N5	H11	116.442	C3	N5	H11	116.442
C3	N6	H12	116.442	N4	C1	N6	112.885
N4	C1	O7	123.558	N4	C2	N5	112.885
N4	C2	O8	123.558	N5	C2	O8	123.558
N5	C3	N6	112.884	N5	C3	O9	123.558
N6	C1	O7	123.558	N6	C3	O9	123.558

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

using model chemistry: QCISD(T)=FULL/6-31G*

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: QCISD(T)=FULL/6-31G*

States and conformations

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