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	hartrees
Energy at 0K	-506.070578
Energy at 298.15K	-506.078071
HF Energy	-506.070578
Nuclear repulsion energy	448.245225

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3660	3523	0.00
2	A₁'	1877	1807	0.00
3	A₁'	996	959	0.00
4	A₁'	671	646	0.00
5	A₂'	1401	1349	0.00
6	A₂'	1223	1178	0.00
7	A₂'	634	610	0.00
8	A₂"	775	746	138.69
9	A₂"	679	653	262.05
10	A₂"	132	127	1.74
11	E'	3657	3521	132.09
11	E'	3657	3521	132.09
12	E'	1859	1790	980.89
12	E'	1859	1790	980.83
13	E'	1480	1425	280.46
13	E'	1480	1425	280.43
14	E'	1424	1371	118.42
14	E'	1424	1371	118.45
15	E'	1039	1001	11.75
15	E'	1039	1001	11.75
16	E'	519	500	26.41
16	E'	519	500	26.41
17	E'	394	379	24.77
17	E'	394	379	24.77
18	E"	764	735	0.00
18	E"	764	735	0.00
19	E"	610	588	0.00
19	E"	610	588	0.00
20	E"	150	144	0.00
20	E"	150	144	0.00

Atom	x (Å)	y (Å)
C1	1.241	0.717
C2	-1.241	0.717
C3	0.000	-1.433
N4	0.000	1.335
N5	-1.156	-0.667
N6	1.156	-0.667
O7	2.283	1.318
O8	-2.283	1.318
O9	0.000	-2.636
H10	0.000	2.344
H11	-2.030	-1.172
H12	2.030	-1.172

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4821	2.4821	1.3865	2.7677	1.3865	1.2033	3.5752	3.5752	2.0463	3.7766	2.0463
C2	2.4821		2.4821	1.3865	1.3865	2.7677	3.5752	1.2033	3.5752	2.0463	2.0463	3.7766
C3	2.4821	2.4821		2.7677	1.3865	1.3865	3.5752	3.5752	1.2033	3.7766	2.0463	2.0463
N4	1.3865	1.3865	2.7677		2.3117	2.3117	2.2832	2.2832	3.9710	1.0089	3.2251	3.2251
N5	2.7677	1.3865	1.3865	2.3117		2.3117	3.9710	2.2832	2.2832	3.2251	1.0089	3.2251
N6	1.3865	2.7677	1.3865	2.3117	2.3117		2.2832	3.9710	2.2832	3.2251	3.2251	1.0089
O7	1.2033	3.5752	3.5752	2.2832	3.9710	2.2832		4.5663	4.5663	2.5028	4.9799	2.5028
O8	3.5752	1.2033	3.5752	2.2832	2.2832	3.9710	4.5663		4.5663	2.5028	2.5028	4.9799
O9	3.5752	3.5752	1.2033	3.9710	2.2832	2.2832	4.5663	4.5663		4.9799	2.5028	2.5028
H10	2.0463	2.0463	3.7766	1.0089	3.2251	3.2251	2.5028	2.5028	4.9799		4.0592	4.0592
H11	3.7766	2.0463	2.0463	3.2251	1.0089	3.2251	4.9799	2.5028	2.5028	4.0592		4.0592
H12	2.0463	3.7766	2.0463	3.2251	3.2251	1.0089	2.5028	4.9799	2.5028	4.0592	4.0592

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	127.048	C1	N4	H10	116.476
C1	N6	C3	127.048	C1	N6	H12	116.476
C2	N4	H10	116.476	C2	N5	C3	127.048
C2	N5	H11	116.476	C3	N5	H11	116.476
C3	N6	H12	116.476	N4	C1	N6	112.952
N4	C1	O7	123.524	N4	C2	N5	112.952
N4	C2	O8	123.524	N5	C2	O8	123.524
N5	C3	N6	112.952	N5	C3	O9	123.524
N6	C1	O7	123.524	N6	C3	O9	123.524

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

using model chemistry: B3PW91/6-311G*

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: B3PW91/6-311G*

States and conformations

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