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	hartrees
Energy at 0K	-504.455620
Energy at 298.15K	-504.463386
HF Energy	-503.387026
Nuclear repulsion energy	451.073033

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3796	3514	0.00
2	A₁'	2008	1859	0.00
3	A₁'	1053	975	0.00
4	A₁'	717	664	0.00
5	A₂'	1484	1373	0.00
6	A₂'	1349	1249	0.00
7	A₂'	668	619	0.00
8	A₂"	806	747	214.11
9	A₂"	701	649	322.57
10	A₂"	142	131	0.98
11	E'	3792	3511	197.37
11	E'	3792	3511	197.37
12	E'	1984	1837	1142.47
12	E'	1984	1837	1142.48
13	E'	1590	1472	400.23
13	E'	1590	1472	400.23
14	E'	1506	1394	76.12
14	E'	1506	1394	76.11
15	E'	1106	1023	13.16
15	E'	1106	1023	13.16
16	E'	550	509	25.31
16	E'	550	509	25.31
17	E'	416	385	33.29
17	E'	416	385	33.31
18	E"	800	741	0.00
18	E"	800	741	0.00
19	E"	637	590	0.00
19	E"	637	590	0.00
20	E"	161	149	0.00
20	E"	161	149	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	1.328
N5	-1.150	-0.664
N6	1.150	-0.664
O7	2.268	1.309
O8	-2.268	1.309
O9	0.000	-2.619
H10	0.000	2.332
H11	-2.020	-1.166
H12	2.020	-1.166

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4616	2.4616	1.3772	2.7497	1.3772	1.1973	3.5494	3.5494	2.0357	3.7534	2.0357
C2	2.4616		2.4616	1.3772	1.3772	2.7497	3.5494	1.1973	3.5494	2.0357	2.0357	3.7534
C3	2.4616	2.4616		2.7497	1.3772	1.3772	3.5494	3.5494	1.1973	3.7534	2.0357	2.0357
N4	1.3772	1.3772	2.7497		2.3009	2.3009	2.2678	2.2678	3.9470	1.0037	3.2096	3.2096
N5	2.7497	1.3772	1.3772	2.3009		2.3009	3.9470	2.2678	2.2678	3.2096	1.0037	3.2096
N6	1.3772	2.7497	1.3772	2.3009	2.3009		2.2678	3.9470	2.2678	3.2096	3.2096	1.0037
O7	1.1973	3.5494	3.5494	2.2678	3.9470	2.2678		4.5355	4.5355	2.4877	4.9507	2.4877
O8	3.5494	1.1973	3.5494	2.2678	2.2678	3.9470	4.5355		4.5355	2.4877	2.4877	4.9507
O9	3.5494	3.5494	1.1973	3.9470	2.2678	2.2678	4.5355	4.5355		4.9507	2.4877	2.4877
H10	2.0357	2.0357	3.7534	1.0037	3.2096	3.2096	2.4877	2.4877	4.9507		4.0394	4.0394
H11	3.7534	2.0357	2.0357	3.2096	1.0037	3.2096	4.9507	2.4877	2.4877	4.0394		4.0394
H12	2.0357	3.7534	2.0357	3.2096	3.2096	1.0037	2.4877	4.9507	2.4877	4.0394	4.0394

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.690	C1	N4	H10	116.655
C1	N6	C3	126.690	C1	N6	H12	116.655
C2	N4	H10	116.655	C2	N5	C3	126.690
C2	N5	H11	116.655	C3	N5	H11	116.655
C3	N6	H12	116.655	N4	C1	N6	113.310
N4	C1	O7	123.345	N4	C2	N5	113.310
N4	C2	O8	123.345	N5	C2	O8	123.345
N5	C3	N6	113.310	N5	C3	O9	123.345
N6	C1	O7	123.345	N6	C3	O9	123.345

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

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

States and conformations

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