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	hartrees
Energy at 0K	-500.569473
Energy at 298.15K	-500.577799
HF Energy	-500.569473
Nuclear repulsion energy	450.221445

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3805	3446	0.00
2	A₁'	1991	1803	0.00
3	A₁'	1078	977	0.00
4	A₁'	717	650	0.00
5	A₂'	1569	1421	0.00
6	A₂'	1348	1221	0.00
7	A₂'	693	628	0.00
8	A₂"	1034	936	690.15
9	A₂"	769	696	166.25
10	A₂"	204	185	9.62
11	E'	3800	3442	200.69
11	E'	3800	3442	200.69
12	E'	1965	1780	1016.56
12	E'	1965	1780	1016.56
13	E'	1578	1429	36.54
13	E'	1578	1429	36.54
14	E'	1536	1391	470.77
14	E'	1536	1391	470.77
15	E'	1114	1009	7.42
15	E'	1114	1009	7.42
16	E'	566	513	29.69
16	E'	566	513	29.69
17	E'	428	388	35.25
17	E'	428	388	35.25
18	E"	917	831	0.00
18	E"	917	831	0.00
19	E"	763	691	0.00
19	E"	763	691	0.00
20	E"	191	173	0.00
20	E"	191	173	0.00

Atom	x (Å)	y (Å)
C1	1.231	0.711
C2	-1.231	0.711
C3	0.000	-1.421
N4	0.000	1.329
N5	-1.151	-0.664
N6	1.151	-0.664
O7	2.275	1.313
O8	-2.275	1.313
O9	0.000	-2.627
H10	0.000	2.329
H11	-2.017	-1.164
H12	2.017	-1.164

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4618	2.4618	1.3775	2.7503	1.3775	1.2052	3.5570	3.5570	2.0332	3.7503	2.0332
C2	2.4618		2.4618	1.3775	1.3775	2.7503	3.5570	1.2052	3.5570	2.0332	2.0332	3.7503
C3	2.4618	2.4618		2.7503	1.3775	1.3775	3.5570	3.5570	1.2052	3.7503	2.0332	2.0332
N4	1.3775	1.3775	2.7503		2.3018	2.3018	2.2747	2.2747	3.9554	1.0000	3.2070	3.2070
N5	2.7503	1.3775	1.3775	2.3018		2.3018	3.9554	2.2747	2.2747	3.2070	1.0000	3.2070
N6	1.3775	2.7503	1.3775	2.3018	2.3018		2.2747	3.9554	2.2747	3.2070	3.2070	1.0000
O7	1.2052	3.5570	3.5570	2.2747	3.9554	2.2747		4.5492	4.5492	2.4911	4.9554	2.4911
O8	3.5570	1.2052	3.5570	2.2747	2.2747	3.9554	4.5492		4.5492	2.4911	2.4911	4.9554
O9	3.5570	3.5570	1.2052	3.9554	2.2747	2.2747	4.5492	4.5492		4.9554	2.4911	2.4911
H10	2.0332	2.0332	3.7503	1.0000	3.2070	3.2070	2.4911	2.4911	4.9554		4.0338	4.0338
H11	3.7503	2.0332	2.0332	3.2070	1.0000	3.2070	4.9554	2.4911	2.4911	4.0338		4.0338
H12	2.0332	3.7503	2.0332	3.2070	3.2070	1.0000	2.4911	4.9554	2.4911	4.0338	4.0338

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.661	C1	N4	H10	116.669
C1	N6	C3	126.661	C1	N6	H12	116.669
C2	N4	H10	116.669	C2	N5	C3	126.661
C2	N5	H11	116.669	C3	N5	H11	116.669
C3	N6	H12	116.669	N4	C1	N6	113.339
N4	C1	O7	123.331	N4	C2	N5	113.339
N4	C2	O8	123.331	N5	C2	O8	123.331
N5	C3	N6	113.339	N5	C3	O9	123.331
N6	C1	O7	123.331	N6	C3	O9	123.331

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

using model chemistry: HF/3-21G

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: HF/3-21G

States and conformations

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