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	hartrees
Energy at 0K	-505.349900
Energy at 298.15K
HF Energy	-503.582317
Nuclear repulsion energy	448.948111

Atom	x (Å)	y (Å)
C1	1.235	0.713
C2	-1.235	0.713
C3	0.000	-1.426
N4	0.000	1.336
N5	-1.157	-0.668
N6	1.157	-0.668
O7	2.279	1.316
O8	-2.279	1.316
O9	0.000	-2.631
H10	0.000	2.342
H11	-2.028	-1.171
H12	2.028	-1.171

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4693	2.4693	1.3828	2.7611	1.3828	1.2055	3.5646	3.5646	2.0443	3.7678	2.0443
C2	2.4693		2.4693	1.3828	1.3828	2.7611	3.5646	1.2055	3.5646	2.0443	2.0443	3.7678
C3	2.4693	2.4693		2.7611	1.3828	1.3828	3.5646	3.5646	1.2055	3.7678	2.0443	2.0443
N4	1.3828	1.3828	2.7611		2.3132	2.3132	2.2787	2.2787	3.9666	1.0067	3.2245	3.2245
N5	2.7611	1.3828	1.3828	2.3132		2.3132	3.9666	2.2787	2.2787	3.2245	1.0067	3.2245
N6	1.3828	2.7611	1.3828	2.3132	2.3132		2.2787	3.9666	2.2787	3.2245	3.2245	1.0067
O7	1.2055	3.5646	3.5646	2.2787	3.9666	2.2787		4.5573	4.5573	2.4992	4.9733	2.4992
O8	3.5646	1.2055	3.5646	2.2787	2.2787	3.9666	4.5573		4.5573	2.4992	2.4992	4.9733
O9	3.5646	3.5646	1.2055	3.9666	2.2787	2.2787	4.5573	4.5573		4.9733	2.4992	2.4992
H10	2.0443	2.0443	3.7678	1.0067	3.2245	3.2245	2.4992	2.4992	4.9733		4.0568	4.0568
H11	3.7678	2.0443	2.0443	3.2245	1.0067	3.2245	4.9733	2.4992	2.4992	4.0568		4.0568
H12	2.0443	3.7678	2.0443	3.2245	3.2245	1.0067	2.4992	4.9733	2.4992	4.0568	4.0568

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.471	C1	N4	H10	116.764
C1	N6	C3	126.471	C1	N6	H12	116.764
C2	N4	H10	116.764	C2	N5	C3	126.471
C2	N5	H11	116.764	C3	N5	H11	116.764
C3	N6	H12	116.764	N4	C1	N6	113.529
N4	C1	O7	123.236	N4	C2	N5	113.529
N4	C2	O8	123.236	N5	C2	O8	123.236
N5	C3	N6	113.529	N5	C3	O9	123.236
N6	C1	O7	123.236	N6	C3	O9	123.236

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

using model chemistry: QCISD/aug-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/aug-cc-pVTZ

States and conformations

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