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	hartrees
Energy at 0K	-505.724307
Energy at 298.15K	-505.731846
HF Energy	-505.724307
Nuclear repulsion energy	449.120391

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3682	3529	0.00
2	A₁'	1898	1819	0.00
3	A₁'	1004	962	0.00
4	A₁'	679	651	0.00
5	A₂'	1407	1349	0.00
6	A₂'	1248	1196	0.00
7	A₂'	637	611	0.00
8	A₂"	782	750	138.62
9	A₂"	682	654	265.84
10	A₂"	133	128	1.69
11	E'	3680	3527	138.53
11	E'	3680	3527	138.53
12	E'	1880	1802	1004.94
12	E'	1880	1802	1004.85
13	E'	1499	1436	310.80
13	E'	1499	1436	310.78
14	E'	1432	1373	91.93
14	E'	1432	1373	91.95
15	E'	1050	1006	10.89
15	E'	1050	1006	10.89
16	E'	523	501	25.55
16	E'	523	501	25.55
17	E'	397	381	25.78
17	E'	397	381	25.78
18	E"	770	738	0.00
18	E"	770	738	0.00
19	E"	614	588	0.00
19	E"	614	588	0.00
20	E"	151	145	0.00
20	E"	151	145	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	2.340
H11	-2.027	-1.170
H12	2.027	-1.170

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4762	2.4762	1.3835	2.7618	1.3835	1.2014	3.5676	3.5676	2.0432	3.7699	2.0432
C2	2.4762		2.4762	1.3835	1.3835	2.7618	3.5676	1.2014	3.5676	2.0432	2.0432	3.7699
C3	2.4762	2.4762		2.7618	1.3835	1.3835	3.5676	3.5676	1.2014	3.7699	2.0432	2.0432
N4	1.3835	1.3835	2.7618		2.3074	2.3074	2.2786	2.2786	3.9632	1.0080	3.2200	3.2200
N5	2.7618	1.3835	1.3835	2.3074		2.3074	3.9632	2.2786	2.2786	3.2200	1.0080	3.2200
N6	1.3835	2.7618	1.3835	2.3074	2.3074		2.2786	3.9632	2.2786	3.2200	3.2200	1.0080
O7	1.2014	3.5676	3.5676	2.2786	3.9632	2.2786		4.5571	4.5571	2.4983	4.9712	2.4983
O8	3.5676	1.2014	3.5676	2.2786	2.2786	3.9632	4.5571		4.5571	2.4983	2.4983	4.9712
O9	3.5676	3.5676	1.2014	3.9632	2.2786	2.2786	4.5571	4.5571		4.9712	2.4983	2.4983
H10	2.0432	2.0432	3.7699	1.0080	3.2200	3.2200	2.4983	2.4983	4.9712		4.0533	4.0533
H11	3.7699	2.0432	2.0432	3.2200	1.0080	3.2200	4.9712	2.4983	2.4983	4.0533		4.0533
H12	2.0432	3.7699	2.0432	3.2200	3.2200	1.0080	2.4983	4.9712	2.4983	4.0533	4.0533

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.999	C1	N4	H10	116.501
C1	N6	C3	126.999	C1	N6	H12	116.501
C2	N4	H10	116.501	C2	N5	C3	126.999
C2	N5	H11	116.501	C3	N5	H11	116.501
C3	N6	H12	116.501	N4	C1	N6	113.001
N4	C1	O7	123.499	N4	C2	N5	113.001
N4	C2	O8	123.499	N5	C2	O8	123.499
N5	C3	N6	113.001	N5	C3	O9	123.499
N6	C1	O7	123.499	N6	C3	O9	123.499

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)