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	hartrees
Energy at 0K	-504.779948
Energy at 298.15K	-504.787286
HF Energy	-503.391708
Nuclear repulsion energy	445.927002

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3707	3471	0.00
2	A₁'	1881	1761	0.00
3	A₁'	1000	936	0.00
4	A₁'	673	630	0.00
5	A₂'	1399	1310	0.00
6	A₂'	1263	1182	0.00
7	A₂'	623	583	0.00
8	A₂"	699	655	5.36
9	A₂"	671	629	419.80
10	A₂"	111	104	0.04
11	E'	3705	3470	173.00
11	E'	3705	3470	173.00
12	E'	1877	1758	864.91
12	E'	1877	1758	864.91
13	E'	1498	1403	371.16
13	E'	1498	1403	371.16
14	E'	1422	1332	40.57
14	E'	1422	1332	40.57
15	E'	1049	983	14.21
15	E'	1049	983	14.21
16	E'	519	486	20.76
16	E'	519	486	20.76
17	E'	388	363	24.93
17	E'	388	363	24.93
18	E"	726	680	0.00
18	E"	726	680	0.00
19	E"	604	565	0.00
19	E"	604	565	0.00
20	E"	141	132	0.00
20	E"	141	132	0.00

Atom	x (Å)	y (Å)
C1	1.245	0.719
C2	-1.245	0.719
C3	0.000	-1.437
N4	0.000	1.336
N5	-1.157	-0.668
N6	1.157	-0.668
O7	2.300	1.328
O8	-2.300	1.328
O9	0.000	-2.656
H10	0.000	2.346
H11	-2.031	-1.173
H12	2.031	-1.173

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4897	2.4897	1.3893	2.7730	1.3893	1.2184	3.5968	3.5968	2.0485	3.7830	2.0485
C2	2.4897		2.4897	1.3893	1.3893	2.7730	3.5968	1.2184	3.5968	2.0485	2.0485	3.7830
C3	2.4897	2.4897		2.7730	1.3893	1.3893	3.5968	3.5968	1.2184	3.7830	2.0485	2.0485
N4	1.3893	1.3893	2.7730		2.3133	2.3133	2.3000	2.3000	3.9914	1.0099	3.2277	3.2277
N5	2.7730	1.3893	1.3893	2.3133		2.3133	3.9914	2.3000	2.3000	3.2277	1.0099	3.2277
N6	1.3893	2.7730	1.3893	2.3133	2.3133		2.3000	3.9914	2.3000	3.2277	3.2277	1.0099
O7	1.2184	3.5968	3.5968	2.3000	3.9914	2.3000		4.6000	4.6000	2.5151	5.0014	2.5151
O8	3.5968	1.2184	3.5968	2.3000	2.3000	3.9914	4.6000		4.6000	2.5151	2.5151	5.0014
O9	3.5968	3.5968	1.2184	3.9914	2.3000	2.3000	4.6000	4.6000		5.0014	2.5151	2.5151
H10	2.0485	2.0485	3.7830	1.0099	3.2277	3.2277	2.5151	2.5151	5.0014		4.0626	4.0626
H11	3.7830	2.0485	2.0485	3.2277	1.0099	3.2277	5.0014	2.5151	2.5151	4.0626		4.0626
H12	2.0485	3.7830	2.0485	3.2277	3.2277	1.0099	2.5151	5.0014	2.5151	4.0626	4.0626

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	127.278	C1	N4	H10	116.361
C1	N6	C3	127.278	C1	N6	H12	116.361
C2	N4	H10	116.361	C2	N5	C3	127.278
C2	N5	H11	116.361	C3	N5	H11	116.361
C3	N6	H12	116.361	N4	C1	N6	112.722
N4	C1	O7	123.639	N4	C2	N5	112.722
N4	C2	O8	123.639	N5	C2	O8	123.639
N5	C3	N6	112.722	N5	C3	O9	123.639
N6	C1	O7	123.639	N6	C3	O9	123.639

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

using model chemistry: MP2/6-31G**

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: MP2/6-31G**

States and conformations

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