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	hartrees
Energy at 0K	-503.399740
Energy at 298.15K	-503.407711
HF Energy	-503.399740
Nuclear repulsion energy	452.954926

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3877	3500	0.00
2	A₁'	2054	1854	0.00
3	A₁'	1077	972	0.00
4	A₁'	731	660	0.00
5	A₂'	1530	1381	0.00
6	A₂'	1367	1234	0.00
7	A₂'	694	627	0.00
8	A₂"	860	776	254.08
9	A₂"	710	641	318.41
10	A₂"	152	137	1.98
11	E'	3874	3497	208.05
11	E'	3874	3497	208.05
12	E'	2027	1829	1254.42
12	E'	2027	1829	1254.42
13	E'	1623	1465	366.99
13	E'	1623	1465	366.99
14	E'	1543	1392	144.79
14	E'	1543	1392	144.79
15	E'	1122	1012	14.59
15	E'	1122	1012	14.59
16	E'	565	510	29.12
16	E'	565	510	29.12
17	E'	430	389	36.57
17	E'	430	389	36.57
18	E"	838	756	0.00
18	E"	838	756	0.00
19	E"	653	589	0.00
19	E"	653	589	0.00
20	E"	168	152	0.00
20	E"	168	152	0.00

Atom	x (Å)	y (Å)
C1	1.227	0.708
C2	-1.227	0.708
C3	0.000	-1.417
N4	0.000	1.328
N5	-1.150	-0.664
N6	1.150	-0.664
O7	2.255	1.302
O8	-2.255	1.302
O9	0.000	-2.604
H10	0.000	2.325
H11	-2.013	-1.162
H12	2.013	-1.162

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4538	2.4538	1.3747	2.7451	1.3747	1.1872	3.5322	3.5322	2.0295	3.7417	2.0295
C2	2.4538		2.4538	1.3747	1.3747	2.7451	3.5322	1.1872	3.5322	2.0295	2.0295	3.7417
C3	2.4538	2.4538		2.7451	1.3747	1.3747	3.5322	3.5322	1.1872	3.7417	2.0295	2.0295
N4	1.3747	1.3747	2.7451		2.3009	2.3009	2.2552	2.2552	3.9323	0.9966	3.2029	3.2029
N5	2.7451	1.3747	1.3747	2.3009		2.3009	3.9323	2.2552	2.2552	3.2029	0.9966	3.2029
N6	1.3747	2.7451	1.3747	2.3009	2.3009		2.2552	3.9323	2.2552	3.2029	3.2029	0.9966
O7	1.1872	3.5322	3.5322	2.2552	3.9323	2.2552		4.5101	4.5101	2.4763	4.9289	2.4763
O8	3.5322	1.1872	3.5322	2.2552	2.2552	3.9323	4.5101		4.5101	2.4763	2.4763	4.9289
O9	3.5322	3.5322	1.1872	3.9323	2.2552	2.2552	4.5101	4.5101		4.9289	2.4763	2.4763
H10	2.0295	2.0295	3.7417	0.9966	3.2029	3.2029	2.4763	2.4763	4.9289		4.0270	4.0270
H11	3.7417	2.0295	2.0295	3.2029	0.9966	3.2029	4.9289	2.4763	2.4763	4.0270		4.0270
H12	2.0295	3.7417	2.0295	3.2029	3.2029	0.9966	2.4763	4.9289	2.4763	4.0270	4.0270

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.375	C1	N4	H10	116.812
C1	N6	C3	126.375	C1	N6	H12	116.812
C2	N4	H10	116.812	C2	N5	C3	126.375
C2	N5	H11	116.812	C3	N5	H11	116.812
C3	N6	H12	116.812	N4	C1	N6	113.625
N4	C1	O7	123.188	N4	C2	N5	113.625
N4	C2	O8	123.188	N5	C2	O8	123.188
N5	C3	N6	113.625	N5	C3	O9	123.188
N6	C1	O7	123.188	N6	C3	O9	123.188

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

using model chemistry: HF/6-31G**

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/6-31G**

States and conformations

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