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	hartrees
Energy at 0K	-95.005500
Energy at 298.15K	-95.012745
HF Energy	-94.155441
Nuclear repulsion energy	226.320698

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3628	3505	0.00
2	A₁'	1683	1626	0.00
3	A₁'	961	929	0.00
4	A₁'	625	604	0.00
5	A₂'	1453	1404	0.00
6	A₂'	1208	1168	0.00
7	A₂'	588	568	0.00
8	A₂"	727	703	519.75
9	A₂"	664	641	55.55
10	A₂"	151	146	3.25
11	E'	3625	3503	146.04
11	E'	3625	3503	146.04
12	E'	1718	1660	869.65
12	E'	1718	1660	869.65
13	E'	1415	1367	34.20
13	E'	1415	1367	34.20
14	E'	1396	1349	420.01
14	E'	1396	1349	420.01
15	E'	1002	968	24.46
15	E'	1002	968	24.46
16	E'	498	481	22.32
16	E'	498	481	22.32
17	E'	364	352	26.00
17	E'	364	352	26.00
18	E"	690	667	0.00
18	E"	690	667	0.00
19	E"	631	610	0.00
19	E"	631	610	0.00
20	E"	143	138	0.00
20	E"	143	138	0.00

Atom	x (Å)	y (Å)
C1	1.275	0.736
C2	-1.275	0.736
C3	0.000	-1.472
N4	0.000	1.379
N5	-1.194	-0.689
N6	1.194	-0.689
O7	2.374	1.371
O8	-2.374	1.371
O9	0.000	-2.742
H10	0.000	2.402
H11	-2.080	-1.201
H12	2.080	-1.201

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.5502	2.5502	1.4278	2.8509	1.4278	1.2694	3.7043	3.7043	2.0980	3.8746	2.0980
C2	2.5502		2.5502	1.4278	1.4278	2.8509	3.7043	1.2694	3.7043	2.0980	2.0980	3.8746
C3	2.5502	2.5502		2.8509	1.4278	1.4278	3.7043	3.7043	1.2694	3.8746	2.0980	2.0980
N4	1.4278	1.4278	2.8509		2.3877	2.3877	2.3744	2.3744	4.1203	1.0237	3.3140	3.3140
N5	2.8509	1.4278	1.4278	2.3877		2.3877	4.1203	2.3744	2.3744	3.3140	1.0237	3.3140
N6	1.4278	2.8509	1.4278	2.3877	2.3877		2.3744	4.1203	2.3744	3.3140	3.3140	1.0237
O7	1.2694	3.7043	3.7043	2.3744	4.1203	2.3744		4.7488	4.7488	2.5887	5.1440	2.5887
O8	3.7043	1.2694	3.7043	2.3744	2.3744	4.1203	4.7488		4.7488	2.5887	2.5887	5.1440
O9	3.7043	3.7043	1.2694	4.1203	2.3744	2.3744	4.7488	4.7488		5.1440	2.5887	2.5887
H10	2.0980	2.0980	3.8746	1.0237	3.3140	3.3140	2.5887	2.5887	5.1440		4.1608	4.1608
H11	3.8746	2.0980	2.0980	3.3140	1.0237	3.3140	5.1440	2.5887	2.5887	4.1608		4.1608
H12	2.0980	3.8746	2.0980	3.3140	3.3140	1.0237	2.5887	5.1440	2.5887	4.1608	4.1608

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.526	C1	N4	H10	116.737
C1	N6	C3	126.527	C1	N6	H12	116.737
C2	N4	H10	116.737	C2	N5	C3	126.527
C2	N5	H11	116.737	C3	N5	H11	116.737
C3	N6	H12	116.737	N4	C1	N6	113.474
N4	C1	O7	123.263	N4	C2	N5	113.474
N4	C2	O8	123.263	N5	C2	O8	123.263
N5	C3	N6	113.473	N5	C3	O9	123.263
N6	C1	O7	123.263	N6	C3	O9	123.263

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

using model chemistry: MP2/CEP-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: MP2/CEP-31G

States and conformations

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