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	hartrees
Energy at 0K	-505.732842
Energy at 298.15K	-505.740370
HF Energy	-505.732842
Nuclear repulsion energy	449.102204

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3668	3519	0.00
2	A₁'	1897	1820	0.00
3	A₁'	1002	961	0.00
4	A₁'	679	651	0.00
5	A₂'	1389	1333	0.00
6	A₂'	1245	1195	0.00
7	A₂'	638	612	0.00
8	A₂"	779	748	106.92
9	A₂"	669	642	255.63
10	A₂"	133	128	2.13
11	E'	3665	3517	165.90
11	E'	3665	3517	165.89
12	E'	1878	1801	995.71
12	E'	1878	1801	995.60
13	E'	1494	1434	338.59
13	E'	1494	1434	338.56
14	E'	1419	1361	67.77
14	E'	1419	1361	67.78
15	E'	1046	1003	10.75
15	E'	1046	1003	10.74
16	E'	522	501	25.26
16	E'	522	501	25.27
17	E'	398	382	25.52
17	E'	398	382	25.52
18	E"	767	736	0.00
18	E"	767	736	0.00
19	E"	600	576	0.00
19	E"	600	576	0.00
20	E"	149	143	0.00
20	E"	149	143	0.00

Atom	x (Å)	y (Å)
C1	1.238	0.715
C2	-1.238	0.715
C3	0.000	-1.430
N4	0.000	1.332
N5	-1.154	-0.666
N6	1.154	-0.666
O7	2.279	1.316
O8	-2.279	1.316
O9	0.000	-2.631
H10	0.000	2.341
H11	-2.027	-1.171
H12	2.027	-1.171

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4763	2.4763	1.3835	2.7618	1.3835	1.2014	3.5677	3.5677	2.0440	3.7708	2.0440
C2	2.4763		2.4763	1.3835	1.3835	2.7618	3.5677	1.2014	3.5677	2.0440	2.0440	3.7708
C3	2.4763	2.4763		2.7618	1.3835	1.3835	3.5677	3.5677	1.2014	3.7708	2.0440	2.0440
N4	1.3835	1.3835	2.7618		2.3073	2.3073	2.2786	2.2786	3.9632	1.0090	3.2209	3.2209
N5	2.7618	1.3835	1.3835	2.3073		2.3073	3.9632	2.2786	2.2786	3.2209	1.0090	3.2209
N6	1.3835	2.7618	1.3835	2.3073	2.3073		2.2786	3.9632	2.2786	3.2209	3.2209	1.0090
O7	1.2014	3.5677	3.5677	2.2786	3.9632	2.2786		4.5571	4.5571	2.4987	4.9722	2.4987
O8	3.5677	1.2014	3.5677	2.2786	2.2786	3.9632	4.5571		4.5571	2.4987	2.4987	4.9722
O9	3.5677	3.5677	1.2014	3.9632	2.2786	2.2786	4.5571	4.5571		4.9722	2.4987	2.4987
H10	2.0440	2.0440	3.7708	1.0090	3.2209	3.2209	2.4987	2.4987	4.9722		4.0550	4.0550
H11	3.7708	2.0440	2.0440	3.2209	1.0090	3.2209	4.9722	2.4987	2.4987	4.0550		4.0550
H12	2.0440	3.7708	2.0440	3.2209	3.2209	1.0090	2.4987	4.9722	2.4987	4.0550	4.0550

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	127.005	C1	N4	H10	116.497
C1	N6	C3	127.005	C1	N6	H12	116.497
C2	N4	H10	116.497	C2	N5	C3	127.005
C2	N5	H11	116.497	C3	N5	H11	116.497
C3	N6	H12	116.497	N4	C1	N6	112.995
N4	C1	O7	123.503	N4	C2	N5	112.995
N4	C2	O8	123.503	N5	C2	O8	123.503
N5	C3	N6	112.995	N5	C3	O9	123.503
N6	C1	O7	123.503	N6	C3	O9	123.503

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

using model chemistry: PBE1PBE/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: PBE1PBE/6-311G**

States and conformations

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