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	hartrees
Energy at 0K	-505.047000
Energy at 298.15K
HF Energy	-503.455745
Nuclear repulsion energy	443.172430

Atom	x (Å)	y (Å)
C1	1.250	0.722
C2	-1.250	0.722
C3	0.000	-1.443
N4	0.000	1.348
N5	-1.167	-0.674
N6	1.167	-0.674
O7	2.312	1.335
O8	-2.312	1.335
O9	0.000	-2.670
H10	0.000	2.365
H11	-2.048	-1.182
H12	2.048	-1.182

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4997	2.4997	1.3980	2.7912	1.3980	1.2267	3.6145	3.6145	2.0643	3.8078	2.0643
C2	2.4997		2.4997	1.3980	1.3980	2.7912	3.6145	1.2267	3.6145	2.0643	2.0643	3.8078
C3	2.4997	2.4997		2.7912	1.3980	1.3980	3.6145	3.6145	1.2267	3.8078	2.0643	2.0643
N4	1.3980	1.3980	2.7912		2.3347	2.3347	2.3122	2.3122	4.0179	1.0166	3.2551	3.2551
N5	2.7912	1.3980	1.3980	2.3347		2.3347	4.0179	2.3122	2.3122	3.2551	1.0166	3.2551
N6	1.3980	2.7912	1.3980	2.3347	2.3347		2.3122	4.0179	2.3122	3.2551	3.2551	1.0166
O7	1.2267	3.6145	3.6145	2.3122	4.0179	2.3122		4.6244	4.6244	2.5311	5.0345	2.5311
O8	3.6145	1.2267	3.6145	2.3122	2.3122	4.0179	4.6244		4.6244	2.5311	2.5311	5.0345
O9	3.6145	3.6145	1.2267	4.0179	2.3122	2.3122	4.6244	4.6244		5.0345	2.5311	2.5311
H10	2.0643	2.0643	3.8078	1.0166	3.2551	3.2551	2.5311	2.5311	5.0345		4.0955	4.0955
H11	3.8078	2.0643	2.0643	3.2551	1.0166	3.2551	5.0345	2.5311	2.5311	4.0955		4.0955
H12	2.0643	3.8078	2.0643	3.2551	3.2551	1.0166	2.5311	5.0345	2.5311	4.0955	4.0955

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.766	C1	N4	H10	116.617
C1	N6	C3	126.766	C1	N6	H12	116.617
C2	N4	H10	116.617	C2	N5	C3	126.766
C2	N5	H11	116.617	C3	N5	H11	116.617
C3	N6	H12	116.617	N4	C1	N6	113.234
N4	C1	O7	123.383	N4	C2	N5	113.234
N4	C2	O8	123.383	N5	C2	O8	123.383
N5	C3	N6	113.234	N5	C3	O9	123.383
N6	C1	O7	123.383	N6	C3	O9	123.383

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

using model chemistry: MP4=FULL/aug-cc-pVDZ

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: MP4=FULL/aug-cc-pVDZ

States and conformations

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