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	hartrees
Energy at 0K	-504.749463
Energy at 298.15K	-504.756913
HF Energy	-503.383746
Nuclear repulsion energy	447.668219

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3690	3463	0.00
2	A₁'	1950	1830	0.00
3	A₁'	1016	954	0.00
4	A₁'	695	652	0.00
5	A₂'	1423	1336	0.00
6	A₂'	1301	1221	0.00
7	A₂'	640	601	0.00
8	A₂"	731	686	99.90
9	A₂"	669	628	387.11
10	A₂"	121	113	0.12
11	E'	3687	3461	174.30
11	E'	3687	3461	174.30
12	E'	1929	1811	1039.33
12	E'	1929	1811	1039.34
13	E'	1537	1443	404.29
13	E'	1537	1443	404.30
14	E'	1453	1363	47.93
14	E'	1453	1363	47.92
15	E'	1068	1002	14.36
15	E'	1068	1002	14.36
16	E'	531	499	24.19
16	E'	531	499	24.19
17	E'	400	375	30.54
17	E'	400	375	30.56
18	E"	748	702	0.00
18	E"	748	702	0.00
19	E"	599	562	0.00
19	E"	599	562	0.00
20	E"	146	137	0.00
20	E"	146	137	0.00

Atom	x (Å)	y (Å)
C1	1.240	0.716
C2	-1.240	0.716
C3	0.000	-1.432
N4	0.000	1.337
N5	-1.158	-0.669
N6	1.158	-0.669
O7	2.286	1.320
O8	-2.286	1.320
O9	0.000	-2.639
H10	0.000	2.349
H11	-2.034	-1.174
H12	2.034	-1.174

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4799	2.4799	1.3869	2.7689	1.3869	1.2077	3.5772	3.5772	2.0504	3.7806	2.0504
C2	2.4799		2.4799	1.3869	1.3869	2.7689	3.5772	1.2077	3.5772	2.0504	2.0504	3.7806
C3	2.4799	2.4799		2.7689	1.3869	1.3869	3.5772	3.5772	1.2077	3.7806	2.0504	2.0504
N4	1.3869	1.3869	2.7689		2.3160	2.3160	2.2859	2.2859	3.9766	1.0117	3.2320	3.2320
N5	2.7689	1.3869	1.3869	2.3160		2.3160	3.9766	2.2859	2.2859	3.2320	1.0117	3.2320
N6	1.3869	2.7689	1.3869	2.3160	2.3160		2.2859	3.9766	2.2859	3.2320	3.2320	1.0117
O7	1.2077	3.5772	3.5772	2.2859	3.9766	2.2859		4.5717	4.5717	2.5068	4.9883	2.5068
O8	3.5772	1.2077	3.5772	2.2859	2.2859	3.9766	4.5717		4.5717	2.5068	2.5068	4.9883
O9	3.5772	3.5772	1.2077	3.9766	2.2859	2.2859	4.5717	4.5717		4.9883	2.5068	2.5068
H10	2.0504	2.0504	3.7806	1.0117	3.2320	3.2320	2.5068	2.5068	4.9883		4.0683	4.0683
H11	3.7806	2.0504	2.0504	3.2320	1.0117	3.2320	4.9883	2.5068	2.5068	4.0683		4.0683
H12	2.0504	3.7806	2.0504	3.2320	3.2320	1.0117	2.5068	4.9883	2.5068	4.0683	4.0683

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.774	C1	N4	H10	116.613
C1	N6	C3	126.774	C1	N6	H12	116.613
C2	N4	H10	116.613	C2	N5	C3	126.774
C2	N5	H11	116.613	C3	N5	H11	116.613
C3	N6	H12	116.613	N4	C1	N6	113.226
N4	C1	O7	123.387	N4	C2	N5	113.226
N4	C2	O8	123.387	N5	C2	O8	123.387
N5	C3	N6	113.226	N5	C3	O9	123.387
N6	C1	O7	123.387	N6	C3	O9	123.387

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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