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	hartrees
Energy at 0K	-506.083933
Energy at 298.15K	-506.091461
HF Energy	-506.083933
Nuclear repulsion energy	448.784578

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3662	3662	0.00
2	A₁'	1922	1922	0.00
3	A₁'	999	999	0.00
4	A₁'	682	682	0.00
5	A₂'	1407	1407	0.00
6	A₂'	1238	1238	0.00
7	A₂'	645	645	0.00
8	A₂"	786	786	136.17
9	A₂"	668	668	289.44
10	A₂"	133	133	1.05
11	E'	3659	3659	160.44
11	E'	3659	3659	160.74
12	E'	1898	1898	1091.97
12	E'	1898	1898	1091.03
13	E'	1504	1504	354.61
13	E'	1504	1504	354.79
14	E'	1431	1431	108.98
14	E'	1431	1431	109.11
15	E'	1051	1051	14.33
15	E'	1051	1051	14.29
16	E'	522	522	25.50
16	E'	521	521	25.52
17	E'	404	404	27.83
17	E'	403	403	27.46
18	E"	773	773	0.00
18	E"	773	773	0.00
19	E"	601	601	0.00
19	E"	601	601	0.00
20	E"	148	148	0.00
20	E"	148	148	0.00

Atom	x (Å)	y (Å)
C1	1.241	0.716
C2	-1.241	0.716
C3	0.000	-1.433
N4	0.000	1.336
N5	-1.157	-0.668
N6	1.157	-0.668
O7	2.278	1.315
O8	-2.278	1.315
O9	0.000	-2.631
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		2.4815	2.4815	1.3867	2.7683	1.3867	1.1979	3.5695	3.5695	2.0480	3.7784	2.0480
C2	2.4815		2.4815	1.3867	1.3867	2.7683	3.5695	1.1979	3.5695	2.0480	2.0480	3.7784
C3	2.4815	2.4815		2.7683	1.3867	1.3867	3.5695	3.5695	1.1979	3.7784	2.0480	2.0480
N4	1.3867	1.3867	2.7683		2.3134	2.3134	2.2782	2.2782	3.9662	1.0101	3.2279	3.2279
N5	2.7683	1.3867	1.3867	2.3134		2.3134	3.9662	2.2782	2.2782	3.2279	1.0101	3.2279
N6	1.3867	2.7683	1.3867	2.3134	2.3134		2.2782	3.9662	2.2782	3.2279	3.2279	1.0101
O7	1.1979	3.5695	3.5695	2.2782	3.9662	2.2782		4.5563	4.5563	2.5004	4.9763	2.5004
O8	3.5695	1.1979	3.5695	2.2782	2.2782	3.9662	4.5563		4.5563	2.5004	2.5004	4.9763
O9	3.5695	3.5695	1.1979	3.9662	2.2782	2.2782	4.5563	4.5563		4.9763	2.5004	2.5004
H10	2.0480	2.0480	3.7784	1.0101	3.2279	3.2279	2.5004	2.5004	4.9763		4.0629	4.0629
H11	3.7784	2.0480	2.0480	3.2279	1.0101	3.2279	4.9763	2.5004	2.5004	4.0629		4.0629
H12	2.0480	3.7784	2.0480	3.2279	3.2279	1.0101	2.5004	4.9763	2.5004	4.0629	4.0629

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.949	C1	N4	H10	116.526
C1	N6	C3	126.949	C1	N6	H12	116.526
C2	N4	H10	116.526	C2	N5	C3	126.949
C2	N5	H11	116.526	C3	N5	H11	116.526
C3	N6	H12	116.526	N4	C1	N6	113.051
N4	C1	O7	123.474	N4	C2	N5	113.051
N4	C2	O8	123.474	N5	C2	O8	123.474
N5	C3	N6	113.051	N5	C3	O9	123.474
N6	C1	O7	123.474	N6	C3	O9	123.474

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

using model chemistry: M06-2X/6-311G*

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/6-311G*

States and conformations

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