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	hartrees
Energy at 0K	-505.312613
Energy at 298.15K	-505.320128
HF Energy	-503.576044
Nuclear repulsion energy	449.001642

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3681	3517	0.00
2	A₁'	1875	1791	0.00
3	A₁'	1006	961	0.00
4	A₁'	678	648	0.00
5	A₂'	1400	1338	0.00
6	A₂'	1273	1216	0.00
7	A₂'	641	613	0.00
8	A₂"	772	738	69.95
9	A₂"	660	631	271.53
10	A₂"	124	119	1.46
11	E'	3678	3515	160.70
11	E'	3678	3515	160.70
12	E'	1858	1775	988.79
12	E'	1858	1775	988.81
13	E'	1505	1438	353.64
13	E'	1505	1438	353.72
14	E'	1427	1363	52.10
14	E'	1427	1363	52.14
15	E'	1049	1003	19.21
15	E'	1049	1003	19.22
16	E'	523	500	24.85
16	E'	523	500	24.85
17	E'	399	381	27.47
17	E'	399	381	27.55
18	E"	771	737	0.00
18	E"	771	737	0.00
19	E"	591	564	0.00
19	E"	591	564	0.00
20	E"	148	141	0.00
20	E"	148	141	0.00

Atom	x (Å)	y (Å)
C1	1.236	0.714
C2	-1.236	0.714
C3	0.000	-1.427
N4	0.000	1.335
N5	-1.156	-0.667
N6	1.156	-0.667
O7	2.279	1.316
O8	-2.279	1.316
O9	0.000	-2.631
H10	0.000	2.340
H11	-2.027	-1.170
H12	2.027	-1.170

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4718	2.4718	1.3832	2.7617	1.3832	1.2041	3.5658	3.5658	2.0430	3.7674	2.0430
C2	2.4718		2.4718	1.3832	1.3832	2.7617	3.5658	1.2041	3.5658	2.0430	2.0430	3.7674
C3	2.4718	2.4718		2.7617	1.3832	1.3832	3.5658	3.5658	1.2041	3.7674	2.0430	2.0430
N4	1.3832	1.3832	2.7617		2.3116	2.3116	2.2788	2.2788	3.9658	1.0057	3.2220	3.2220
N5	2.7617	1.3832	1.3832	2.3116		2.3116	3.9658	2.2788	2.2788	3.2220	1.0057	3.2220
N6	1.3832	2.7617	1.3832	2.3116	2.3116		2.2788	3.9658	2.2788	3.2220	3.2220	1.0057
O7	1.2041	3.5658	3.5658	2.2788	3.9658	2.2788		4.5574	4.5574	2.4985	4.9715	2.4985
O8	3.5658	1.2041	3.5658	2.2788	2.2788	3.9658	4.5574		4.5574	2.4985	2.4985	4.9715
O9	3.5658	3.5658	1.2041	3.9658	2.2788	2.2788	4.5574	4.5574		4.9715	2.4985	2.4985
H10	2.0430	2.0430	3.7674	1.0057	3.2220	3.2220	2.4985	2.4985	4.9715		4.0535	4.0535
H11	3.7674	2.0430	2.0430	3.2220	1.0057	3.2220	4.9715	2.4985	2.4985	4.0535		4.0535
H12	2.0430	3.7674	2.0430	3.2220	3.2220	1.0057	2.4985	4.9715	2.4985	4.0535	4.0535

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.639	C1	N4	H10	116.680
C1	N6	C3	126.639	C1	N6	H12	116.680
C2	N4	H10	116.680	C2	N5	C3	126.639
C2	N5	H11	116.680	C3	N5	H11	116.681
C3	N6	H12	116.681	N4	C1	N6	113.361
N4	C1	O7	123.320	N4	C2	N5	113.361
N4	C2	O8	123.320	N5	C2	O8	123.320
N5	C3	N6	113.361	N5	C3	O9	123.320
N6	C1	O7	123.320	N6	C3	O9	123.320

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

using model chemistry: QCISD/cc-pVTZ

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/cc-pVTZ

States and conformations

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