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	hartrees
Energy at 0K	-505.100825
Energy at 298.15K	-505.108321
HF Energy	-503.439803
Nuclear repulsion energy	448.805398

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3703	3508	0.00
2	A₁'	1897	1798	0.00
3	A₁'	1006	953	0.00
4	A₁'	680	644	0.00
5	A₂'	1397	1324	0.00
6	A₂'	1278	1211	0.00
7	A₂'	634	601	0.00
8	A₂"	780	739	85.05
9	A₂"	670	635	277.53
10	A₂"	121	115	0.87
11	E'	3700	3505	163.98
11	E'	3700	3505	163.98
12	E'	1881	1782	903.76
12	E'	1881	1782	903.79
13	E'	1505	1426	354.58
13	E'	1505	1426	354.64
14	E'	1427	1352	40.39
14	E'	1427	1352	40.42
15	E'	1050	995	12.46
15	E'	1050	995	12.47
16	E'	521	493	22.98
16	E'	521	493	22.99
17	E'	396	376	27.95
17	E'	396	376	27.89
18	E"	780	739	0.00
18	E"	780	739	0.00
19	E"	599	568	0.00
19	E"	599	568	0.00
20	E"	148	140	0.00
20	E"	148	140	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	1.333
N5	-1.155	-0.667
N6	1.155	-0.667
O7	2.280	1.317
O8	-2.280	1.317
O9	0.000	-2.633
H10	0.000	2.341
H11	-2.027	-1.170
H12	2.027	-1.170

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4768	2.4768	1.3842	2.7633	1.3842	1.2031	3.5697	3.5697	2.0437	3.7708	2.0437
C2	2.4768		2.4768	1.3842	1.3842	2.7633	3.5697	1.2031	3.5697	2.0437	2.0437	3.7708
C3	2.4768	2.4768		2.7633	1.3842	1.3842	3.5697	3.5697	1.2031	3.7708	2.0437	2.0437
N4	1.3842	1.3842	2.7633		2.3095	2.3095	2.2803	2.2803	3.9664	1.0074	3.2216	3.2216
N5	2.7633	1.3842	1.3842	2.3095		2.3095	3.9664	2.2803	2.2803	3.2216	1.0074	3.2216
N6	1.3842	2.7633	1.3842	2.3095	2.3095		2.2803	3.9664	2.2803	3.2216	3.2216	1.0074
O7	1.2031	3.5697	3.5697	2.2803	3.9664	2.2803		4.5606	4.5606	2.4998	4.9738	2.4998
O8	3.5697	1.2031	3.5697	2.2803	2.2803	3.9664	4.5606		4.5606	2.4998	2.4998	4.9738
O9	3.5697	3.5697	1.2031	3.9664	2.2803	2.2803	4.5606	4.5606		4.9738	2.4998	2.4998
H10	2.0437	2.0437	3.7708	1.0074	3.2216	3.2216	2.4998	2.4998	4.9738		4.0544	4.0544
H11	3.7708	2.0437	2.0437	3.2216	1.0074	3.2216	4.9738	2.4998	2.4998	4.0544		4.0544
H12	2.0437	3.7708	2.0437	3.2216	3.2216	1.0074	2.4998	4.9738	2.4998	4.0544	4.0544

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.929	C1	N4	H10	116.536
C1	N6	C3	126.929	C1	N6	H12	116.536
C2	N4	H10	116.536	C2	N5	C3	126.929
C2	N5	H11	116.536	C3	N5	H11	116.536
C3	N6	H12	116.536	N4	C1	N6	113.071
N4	C1	O7	123.464	N4	C2	N5	113.071
N4	C2	O8	123.464	N5	C2	O8	123.464
N5	C3	N6	113.071	N5	C3	O9	123.464
N6	C1	O7	123.464	N6	C3	O9	123.464

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

using model chemistry: QCISD/6-31G(2df,p)

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: QCISD/6-31G(2df,p)

States and conformations

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