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	hartrees
Energy at 0K	-505.729890
Energy at 298.15K	-505.737289
HF Energy	-505.259313
Nuclear repulsion energy	446.181568

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3641	3490	0.00
2	A₁'	1859	1782	0.00
3	A₁'	992	951	0.00
4	A₁'	665	638	0.00
5	A₂'	1375	1318	0.00
6	A₂'	1242	1190	0.00
7	A₂'	631	605	0.00
8	A₂"	753	722	70.45
9	A₂"	666	638	264.35
10	A₂"	113	109	0.93
11	E'	3639	3488	158.96
11	E'	3639	3488	158.99
12	E'	1848	1771	888.78
12	E'	1848	1771	888.76
13	E'	1480	1419	322.08
13	E'	1480	1419	322.01
14	E'	1405	1347	48.82
14	E'	1405	1347	48.86
15	E'	1037	994	11.97
15	E'	1037	994	11.97
16	E'	515	494	24.00
16	E'	515	494	24.00
17	E'	392	376	23.18
17	E'	392	376	23.19
18	E"	754	723	0.00
18	E"	754	723	0.00
19	E"	595	571	0.00
19	E"	595	571	0.00
20	E"	141	135	0.00
20	E"	141	135	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	1.340
N5	-1.160	-0.670
N6	1.160	-0.670
O7	2.295	1.325
O8	-2.295	1.325
O9	0.000	-2.649
H10	0.000	2.354
H11	-2.039	-1.177
H12	2.039	-1.177

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4898	2.4898	1.3912	2.7773	1.3912	1.2120	3.5909	3.5909	2.0556	3.7920	2.0556
C2	2.4898		2.4898	1.3912	1.3912	2.7773	3.5909	1.2120	3.5909	2.0556	2.0556	3.7920
C3	2.4898	2.4898		2.7773	1.3912	1.3912	3.5909	3.5909	1.2120	3.7920	2.0556	2.0556
N4	1.3912	1.3912	2.7773		2.3206	2.3206	2.2946	2.2946	3.9893	1.0147	3.2393	3.2393
N5	2.7773	1.3912	1.3912	2.3206		2.3206	3.9893	2.2946	2.2946	3.2393	1.0147	3.2393
N6	1.3912	2.7773	1.3912	2.3206	2.3206		2.2946	3.9893	2.2946	3.2393	3.2393	1.0147
O7	1.2120	3.5909	3.5909	2.2946	3.9893	2.2946		4.5891	4.5891	2.5150	5.0040	2.5150
O8	3.5909	1.2120	3.5909	2.2946	2.2946	3.9893	4.5891		4.5891	2.5150	2.5150	5.0040
O9	3.5909	3.5909	1.2120	3.9893	2.2946	2.2946	4.5891	4.5891		5.0040	2.5150	2.5150
H10	2.0556	2.0556	3.7920	1.0147	3.2393	3.2393	2.5150	2.5150	5.0040		4.0781	4.0781
H11	3.7920	2.0556	2.0556	3.2393	1.0147	3.2393	5.0040	2.5150	2.5150	4.0781		4.0781
H12	2.0556	3.7920	2.0556	3.2393	3.2393	1.0147	2.5150	5.0040	2.5150	4.0781	4.0781

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.971	C1	N4	H10	116.515
C1	N6	C3	126.971	C1	N6	H12	116.515
C2	N4	H10	116.515	C2	N5	C3	126.971
C2	N5	H11	116.515	C3	N5	H11	116.515
C3	N6	H12	116.515	N4	C1	N6	113.029
N4	C1	O7	123.485	N4	C2	N5	113.029
N4	C2	O8	123.485	N5	C2	O8	123.485
N5	C3	N6	113.029	N5	C3	O9	123.485
N6	C1	O7	123.485	N6	C3	O9	123.485

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

using model chemistry: B2PLYP=FULL/cc-pVDZ

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: B2PLYP=FULL/cc-pVDZ

States and conformations

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