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	hartrees
Energy at 0K	-499.353092
Energy at 298.15K	-499.359180
HF Energy	-499.353092
Nuclear repulsion energy	433.679197

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3843	3843	0.00
2	A₁'	1983	1983	0.00
3	A₁'	953	953	0.00
4	A₁'	677	677	0.00
5	A₂'	1443	1443	0.00
6	A₂'	1267	1267	0.00
7	A₂'	590	590	0.00
8	A₂"	666	666	74.79
9	A₂"	549	549	379.18
10	A₂"	52	52	7.06
11	E'	3840	3840	68.61
11	E'	3840	3840	68.74
12	E'	1981	1981	398.32
12	E'	1981	1981	398.18
13	E'	1513	1513	193.53
13	E'	1513	1513	193.35
14	E'	1440	1440	207.69
14	E'	1440	1440	207.65
15	E'	1046	1046	3.60
15	E'	1046	1046	3.58
16	E'	499	499	10.19
16	E'	499	499	10.23
17	E'	368	368	15.83
17	E'	368	368	15.90
18	E"	661	661	0.02
18	E"	660	660	0.01
19	E"	487	487	0.00
19	E"	487	487	0.00
20	E"	97	97	0.00
20	E"	97	97	0.00

Atom	x (Å)	y (Å)
C1	1.292	0.746
C2	-1.292	0.746
C3	0.000	-1.491
N4	0.000	1.374
N5	-1.190	-0.687
N6	1.190	-0.687
O7	2.362	1.364
O8	-2.362	1.364
O9	0.000	-2.728
H10	0.000	2.411
H11	-2.088	-1.205
H12	2.088	-1.205

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.5833	2.5833	1.4364	2.8656	1.4364	1.2364	3.7060	3.7060	2.1075	3.9024	2.1075
C2	2.5833		2.5833	1.4364	1.4364	2.8656	3.7060	1.2364	3.7060	2.1075	2.1075	3.9024
C3	2.5833	2.5833		2.8656	1.4364	1.4364	3.7060	3.7060	1.2364	3.9024	2.1075	2.1075
N4	1.4364	1.4364	2.8656		2.3802	2.3802	2.3624	2.3624	4.1021	1.0368	3.3188	3.3188
N5	2.8656	1.4364	1.4364	2.3802		2.3802	4.1021	2.3624	2.3624	3.3188	1.0368	3.3188
N6	1.4364	2.8656	1.4364	2.3802	2.3802		2.3624	4.1021	2.3624	3.3188	3.3188	1.0368
O7	1.2364	3.7060	3.7060	2.3624	4.1021	2.3624		4.7248	4.7248	2.5841	5.1389	2.5841
O8	3.7060	1.2364	3.7060	2.3624	2.3624	4.1021	4.7248		4.7248	2.5841	2.5841	5.1389
O9	3.7060	3.7060	1.2364	4.1021	2.3624	2.3624	4.7248	4.7248		5.1389	2.5841	2.5841
H10	2.1075	2.1075	3.9024	1.0368	3.3188	3.3188	2.5841	2.5841	5.1389		4.1760	4.1760
H11	3.9024	2.1075	2.1075	3.3188	1.0368	3.3188	5.1389	2.5841	2.5841	4.1760		4.1760
H12	2.1075	3.9024	2.1075	3.3188	3.3188	1.0368	2.5841	5.1389	2.5841	4.1760	4.1760

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	128.108	C1	N4	H10	115.946
C1	N6	C3	128.108	C1	N6	H12	115.946
C2	N4	H10	115.946	C2	N5	C3	128.108
C2	N5	H11	115.946	C3	N5	H11	115.946
C3	N6	H12	115.946	N4	C1	N6	111.892
N4	C1	O7	124.054	N4	C2	N5	111.892
N4	C2	O8	124.054	N5	C2	O8	124.054
N5	C3	N6	111.892	N5	C3	O9	124.054
N6	C1	O7	124.054	N6	C3	O9	124.054

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

using model chemistry: M06-2X/STO-3G

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: M06-2X/STO-3G

States and conformations

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